2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide

C15H21BrN2O2 — CID 82868300

IUPAC2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCCCC2CN)ccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-20-14-8-11(6-7-13(14)16)18-15(19)12-5-3-2-4-10(12)9-17/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyZSSDMFZZAOXHGJ-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.16
Rot. Bonds4

About 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide

2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 82868300) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID82868300
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCCCC2CN)ccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-20-14-8-11(6-7-13(14)16)18-15(19)12-5-3-2-4-10(12)9-17/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyZSSDMFZZAOXHGJ-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-chloro-3-methoxyphenyl)cyclopentane-1-carboxamide
CID 107621850
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 81488925
2-(aminomethyl)-N-(3-bromo-5-methylphenyl)cyclohexane-1-carboxamide
CID 107583536
2-(aminomethyl)-N-(3-chloro-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 107679848
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82756721
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446
N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82867796
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824304
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
(2R,5S)-5-[(4-bromo-3-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945585

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide (CID 82868300) is 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide is COc1cc(NC(=O)C2CCCCC2CN)ccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is ZSSDMFZZAOXHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-20-14-8-11(6-7-13(14)16)18-15(19)12-5-3-2-4-10(12)9-17/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide?
2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 82868300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).