(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

C16H24BrN — CID 81382309

IUPAC(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CN[C@@H](C)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN/c1-12-6-8-14(9-7-12)11-18-13(2)15-4-3-5-16(17)10-15/h3-5,10,12-14,18H,6-9,11H2,1-2H3/t12?,13-,14?/m0/s1
InChIKeyWWNNXOKXMSUCBF-MOKVOYLWSA-N
MW310.28 g/mol
LogP4.93
Rot. Bonds4

About (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 81382309) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID81382309
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CN[C@@H](C)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN/c1-12-6-8-14(9-7-12)11-18-13(2)15-4-3-5-16(17)10-15/h3-5,10,12-14,18H,6-9,11H2,1-2H3/t12?,13-,14?/m0/s1
InChIKeyWWNNXOKXMSUCBF-MOKVOYLWSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
1-(4-bromo-2-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 82963551
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396
2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
CID 115875991
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
(1S)-1-(3-bromophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81381366

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 81382309) is (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is CC1CCC(CN[C@@H](C)c2cccc(Br)c2)CC1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is WWNNXOKXMSUCBF-MOKVOYLWSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12-6-8-14(9-7-12)11-18-13(2)15-4-3-5-16(17)10-15/h3-5,10,12-14,18H,6-9,11H2,1-2H3/t12?,13-,14?/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 310.28 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 81382309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).