1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride

C16H25ClF2N2O2 — CID 120847888

IUPAC1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride
SMILESCOc1cc(CN(CC(C)(C)N)C2CC2)ccc1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-16(2,19)10-20(12-5-6-12)9-11-4-7-13(22-15(17)18)14(8-11)21-3;/h4,7-8,12,15H,5-6,9-10,19H2,1-3H3;1H
InChIKeyLCYPUYNSBGNKHY-UHFFFAOYSA-N
MW350.84 g/mol
LogP3.42
Rot. Bonds8

About 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride

1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride (PubChem CID 120847888) has the molecular formula C16H25ClF2N2O2 and a molecular weight of 350.84 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride
PubChem CID120847888
Molecular FormulaC16H25ClF2N2O2
Molecular Weight350.84 g/mol
Exact Mass350.16
IUPAC Name1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride
SMILESCOc1cc(CN(CC(C)(C)N)C2CC2)ccc1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-16(2,19)10-20(12-5-6-12)9-11-4-7-13(22-15(17)18)14(8-11)21-3;/h4,7-8,12,15H,5-6,9-10,19H2,1-3H3;1H
InChIKeyLCYPUYNSBGNKHY-UHFFFAOYSA-N
XLogP3.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119929823
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120902842
2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide
CID 26379534
1-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylethane-1,2-diamine
CID 116652609
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 63298131
methyl 1-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]acetyl]piperidine-4-carboxylate
CID 17481178
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[(3-nitrophenyl)methyl]cyclopropanamine
CID 112842490
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
(2S)-1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93160983
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18169198
(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 39973149

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride (CID 120847888) is 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride is COc1cc(CN(CC(C)(C)N)C2CC2)ccc1OC(F)F.Cl.
What is the InChIKey of 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride?
The InChIKey is LCYPUYNSBGNKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2.ClH/c1-16(2,19)10-20(12-5-6-12)9-11-4-7-13(22-15(17)18)14(8-11)21-3;/h4,7-8,12,15H,5-6,9-10,19H2,1-3H3;1H.
What are the key properties of 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride?
1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride has a molecular weight of 350.84 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120847888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).