(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine

C14H20BrNO — CID 29010450

IUPAC(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
SMILESCOc1ccc([C@@H](N)C2CCCCC2)cc1Br
InChIInChI=1S/C14H20BrNO/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h7-10,14H,2-6,16H2,1H3/t14-/m0/s1
InChIKeyWQPKPJCGBPJDCI-AWEZNQCLSA-N
MW298.22 g/mol
LogP4.04
Rot. Bonds3

About (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine

(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine (PubChem CID 29010450) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
PubChem CID29010450
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
SMILESCOc1ccc([C@@H](N)C2CCCCC2)cc1Br
InChIInChI=1S/C14H20BrNO/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h7-10,14H,2-6,16H2,1H3/t14-/m0/s1
InChIKeyWQPKPJCGBPJDCI-AWEZNQCLSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308332
[bromo-(3-bromo-4-methoxyphenyl)methyl]cycloheptane
CID 63435662
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
CID 81393845
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine?
The IUPAC name of (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine (CID 29010450) is (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine.
What is the SMILES notation for (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine?
The canonical SMILES for (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine is COc1ccc([C@@H](N)C2CCCCC2)cc1Br.
What is the InChIKey of (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine?
The InChIKey is WQPKPJCGBPJDCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h7-10,14H,2-6,16H2,1H3/t14-/m0/s1.
What are the key properties of (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine?
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine has a molecular weight of 298.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine is sourced from PubChem (CID 29010450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).