1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide

C13H17ClN2O — CID 113313018

IUPAC1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9(10-3-2-4-11(14)7-10)16-12(17)13(8-15)5-6-13/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyHVNLZLUYKDWKBV-VIFPVBQESA-N
MW252.75 g/mol
LogP2.26
Rot. Bonds4

About 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 113313018) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID113313018
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9(10-3-2-4-11(14)7-10)16-12(17)13(8-15)5-6-13/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyHVNLZLUYKDWKBV-VIFPVBQESA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 115452527
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
CID 115444286
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
CID 115439767
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448197
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide (CID 113313018) is 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)C1(CN)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is HVNLZLUYKDWKBV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(10-3-2-4-11(14)7-10)16-12(17)13(8-15)5-6-13/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 252.75 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 113313018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).