N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride

C17H27ClN2O — CID 120898289

IUPACN-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1ccccc1CN(CC1(C)CCNC1)C1CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(9-10-18-12-17)13-19(15-7-8-15)11-14-5-3-4-6-16(14)20-2;/h3-6,15,18H,7-13H2,1-2H3;1H
InChIKeyRYZFRNKAUIYXNV-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.08
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride

N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride (PubChem CID 120898289) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
PubChem CID120898289
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1ccccc1CN(CC1(C)CCNC1)C1CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(9-10-18-12-17)13-19(15-7-8-15)11-14-5-3-4-6-16(14)20-2;/h3-6,15,18H,7-13H2,1-2H3;1H
InChIKeyRYZFRNKAUIYXNV-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142889
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120902842
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 120898763
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
1-(2-ethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898323
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897682
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 120900591
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648276

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride (CID 120898289) is N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride is COc1ccccc1CN(CC1(C)CCNC1)C1CC1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride?
The InChIKey is RYZFRNKAUIYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-17(9-10-18-12-17)13-19(15-7-8-15)11-14-5-3-4-6-16(14)20-2;/h3-6,15,18H,7-13H2,1-2H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride?
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 120898289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).