N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride

C18H27ClF2N2O2 — CID 120902842

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1cc(CN(CC2(C)CCNC2)C2CC2)ccc1OC(F)F.Cl
InChIInChI=1S/C18H26F2N2O2.ClH/c1-18(7-8-21-11-18)12-22(14-4-5-14)10-13-3-6-15(24-17(19)20)16(9-13)23-2;/h3,6,9,14,17,21H,4-5,7-8,10-12H2,1-2H3;1H
InChIKeyKRHXFOYREYLZNY-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.68
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride (PubChem CID 120902842) has the molecular formula C18H27ClF2N2O2 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
PubChem CID120902842
Molecular FormulaC18H27ClF2N2O2
Molecular Weight376.88 g/mol
Exact Mass376.17
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1cc(CN(CC2(C)CCNC2)C2CC2)ccc1OC(F)F.Cl
InChIInChI=1S/C18H26F2N2O2.ClH/c1-18(7-8-21-11-18)12-22(14-4-5-14)10-13-3-6-15(24-17(19)20)16(9-13)23-2;/h3,6,9,14,17,21H,4-5,7-8,10-12H2,1-2H3;1H
InChIKeyKRHXFOYREYLZNY-UHFFFAOYSA-N
XLogP3.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120898289
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119929823
1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride
CID 120847888
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 63298131
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[(3-nitrophenyl)methyl]cyclopropanamine
CID 112842490
2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide
CID 26379534
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17426445
1-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylethane-1,2-diamine
CID 116652609
methyl 1-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]acetyl]piperidine-4-carboxylate
CID 17481178

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride (CID 120902842) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride is COc1cc(CN(CC2(C)CCNC2)C2CC2)ccc1OC(F)F.Cl.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride?
The InChIKey is KRHXFOYREYLZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2.ClH/c1-18(7-8-21-11-18)12-22(14-4-5-14)10-13-3-6-15(24-17(19)20)16(9-13)23-2;/h3,6,9,14,17,21H,4-5,7-8,10-12H2,1-2H3;1H.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 120902842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).