1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

C13H18N2O2 — CID 80588402

IUPAC1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-11-4-2-10(3-5-11)8-15-12(16)13(9-14)6-7-13/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyMZTWNELRFIEAEG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.05
Rot. Bonds5

About 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 80588402) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID80588402
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-11-4-2-10(3-5-11)8-15-12(16)13(9-14)6-7-13/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyMZTWNELRFIEAEG-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
CID 115453093
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 81485479
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
4-(aminomethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
CID 120920598
4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
CID 62993835
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]oxane-4-carboxamide
CID 62993317
4-(aminomethyl)-N-[(3-bromo-4-methoxyphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120930166
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198206

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 80588402) is 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2(CN)CC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is MZTWNELRFIEAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-11-4-2-10(3-5-11)8-15-12(16)13(9-14)6-7-13/h2-5H,6-9,14H2,1H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80588402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).