4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide

C17H25BrN2O — CID 79511570

IUPAC4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(NC(=O)C1CCC(CN)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O/c1-17(2,14-7-9-15(18)10-8-14)20-16(21)13-5-3-12(11-19)4-6-13/h7-10,12-13H,3-6,11,19H2,1-2H3,(H,20,21)
InChIKeyMDGZNKJJXCRRHJ-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.57
Rot. Bonds4

About 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 79511570) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID79511570
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(NC(=O)C1CCC(CN)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O/c1-17(2,14-7-9-15(18)10-8-14)20-16(21)13-5-3-12(11-19)4-6-13/h7-10,12-13H,3-6,11,19H2,1-2H3,(H,20,21)
InChIKeyMDGZNKJJXCRRHJ-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 64822736
N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738889
4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 79527030
4-(aminomethyl)-N-(2-methylbut-3-yn-2-yl)cyclohexane-1-carboxamide
CID 79527650
4-amino-N-[1-(4-bromophenyl)-1,2,2-trifluoroethyl]cyclohexane-1-carboxamide;hydrochloride
CID 175476430
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate
CID 79527399
[4-[[1-(4-bromophenyl)-1,2,2-trifluoroethyl]carbamoyl]cyclohexyl]methylcarbamic acid
CID 175476390
4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 79526653
N-[2-(4-bromophenyl)propan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890840
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
1-[4-(aminomethyl)cyclohexyl]-2-(4-tert-butylphenyl)ethanone
CID 116592436

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide (CID 79511570) is 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide is CC(C)(NC(=O)C1CCC(CN)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is MDGZNKJJXCRRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-17(2,14-7-9-15(18)10-8-14)20-16(21)13-5-3-12(11-19)4-6-13/h7-10,12-13H,3-6,11,19H2,1-2H3,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79511570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).