4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide

C16H23BrN2O — CID 81397693

IUPAC4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(CN)CC1)c1ccccc1Br
InChIInChI=1S/C16H23BrN2O/c1-11(14-4-2-3-5-15(14)17)19-16(20)13-8-6-12(10-18)7-9-13/h2-5,11-13H,6-10,18H2,1H3,(H,19,20)/t11-,12?,13?/m0/s1
InChIKeyAXAAZSYDVWZFGI-HIFPTAJRSA-N
MW339.28 g/mol
LogP3.39
Rot. Bonds4

About 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 81397693) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID81397693
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(CN)CC1)c1ccccc1Br
InChIInChI=1S/C16H23BrN2O/c1-11(14-4-2-3-5-15(14)17)19-16(20)13-8-6-12(10-18)7-9-13/h2-5,11-13H,6-10,18H2,1H3,(H,19,20)/t11-,12?,13?/m0/s1
InChIKeyAXAAZSYDVWZFGI-HIFPTAJRSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79527625
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81384002
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81361448
2-amino-N-[1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 64823134
4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79526822
N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 73389762
3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 81397672

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide (CID 81397693) is 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide is C[C@H](NC(=O)C1CCC(CN)CC1)c1ccccc1Br.
What is the InChIKey of 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is AXAAZSYDVWZFGI-HIFPTAJRSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11(14-4-2-3-5-15(14)17)19-16(20)13-8-6-12(10-18)7-9-13/h2-5,11-13H,6-10,18H2,1H3,(H,19,20)/t11-,12?,13?/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81397693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).