2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide

C17H25BrN2O — CID 104677766

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C17H25BrN2O/c1-20(12-14-5-7-15(18)8-6-14)16(21)11-17(13-19)9-3-2-4-10-17/h5-8H,2-4,9-13,19H2,1H3
InChIKeyHDONSAQSOQQTFP-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.71
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide (PubChem CID 104677766) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide
PubChem CID104677766
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C17H25BrN2O/c1-20(12-14-5-7-15(18)8-6-14)16(21)11-17(13-19)9-3-2-4-10-17/h5-8H,2-4,9-13,19H2,1H3
InChIKeyHDONSAQSOQQTFP-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-[(3-bromophenyl)methyl]-N-methylacetamide
CID 104677898
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 104677611
2-[1-(aminomethyl)cyclobutyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 81173080
2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 104678002
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 81172216
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 104677833
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide (CID 104677766) is 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Br)cc1)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide?
The InChIKey is HDONSAQSOQQTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-20(12-14-5-7-15(18)8-6-14)16(21)11-17(13-19)9-3-2-4-10-17/h5-8H,2-4,9-13,19H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide has a molecular weight of 353.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 104677766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).