1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide

C14H19BrN2O — CID 113309812

IUPAC1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2Br)CCCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-6-2-3-7-12(11)17-13(18)14(10-16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,16H2,(H,17,18)
InChIKeyPTRFIIMXHXXVNM-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.30
Rot. Bonds3

About 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide (PubChem CID 113309812) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
PubChem CID113309812
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2Br)CCCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-6-2-3-7-12(11)17-13(18)14(10-16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,16H2,(H,17,18)
InChIKeyPTRFIIMXHXXVNM-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
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1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
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1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
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1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
CID 103479480
1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
CID 107625627
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
CID 115453581
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757222
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437472
1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
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CID 115448247

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide (CID 113309812) is 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide is NCC1(C(=O)Nc2ccccc2Br)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide?
The InChIKey is PTRFIIMXHXXVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-11-6-2-3-7-12(11)17-13(18)14(10-16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,16H2,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113309812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).