1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide

C15H22N2O2 — CID 115182752

IUPAC1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(CN)CC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-11-9-12(3-4-13(11)19-2)5-8-17-14(18)15(10-16)6-7-15/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18)
InChIKeyDSPKMLGUBVIRNQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.40
Rot. Bonds6

About 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115182752) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115182752
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(CN)CC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-11-9-12(3-4-13(11)19-2)5-8-17-14(18)15(10-16)6-7-15/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18)
InChIKeyDSPKMLGUBVIRNQ-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
1-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 80587959
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120917677
N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182374
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
4-(aminomethyl)-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]oxane-4-carboxamide;hydrochloride
CID 120930282
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
4-(aminomethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]oxane-4-carboxamide
CID 120919849
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115183513

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115182752) is 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide is COc1ccc(CCNC(=O)C2(CN)CC2)cc1C.
What is the InChIKey of 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is DSPKMLGUBVIRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-12(3-4-13(11)19-2)5-8-17-14(18)15(10-16)6-7-15/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115182752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).