N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine

C17H26BrN — CID 64739441

IUPACN-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H26BrN/c1-4-19-17(14-6-5-7-16(18)11-14)15-9-8-12(2)13(3)10-15/h5-7,11-13,15,17,19H,4,8-10H2,1-3H3
InChIKeyHJDNJVVJKBKAIE-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.17
Rot. Bonds4

About N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine

N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 64739441) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
PubChem CID64739441
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H26BrN/c1-4-19-17(14-6-5-7-16(18)11-14)15-9-8-12(2)13(3)10-15/h5-7,11-13,15,17,19H,4,8-10H2,1-3H3
InChIKeyHJDNJVVJKBKAIE-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64738432
N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989489
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(3,4-dimethylcyclohexyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 104989415
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[(2-bromo-5-methoxyphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 105154411
N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195505
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 107539367
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine (CID 64739441) is N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine is CCNC(c1cccc(Br)c1)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is HJDNJVVJKBKAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-4-19-17(14-6-5-7-16(18)11-14)15-9-8-12(2)13(3)10-15/h5-7,11-13,15,17,19H,4,8-10H2,1-3H3.
What are the key properties of N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 324.31 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 64739441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).