(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine

C14H20BrNO — CID 171224429

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

About (S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine

(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine (PubChem CID 171224429) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is (S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
PubChem CID171224429
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
SMILESCOc1ccc(Br)c([C@@H](N)C2CCCCC2)c1
InChIInChI=1S/C14H20BrNO/c1-17-11-7-8-13(15)12(9-11)14(16)10-5-3-2-4-6-10/h7-10,14H,2-6,16H2,1H3/t14-/m0/s1
InChIKeyYBTZLVGENRBEQB-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

(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine
CID 105330710
(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
(2-bromo-5-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166248
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171257666
[bromo-(2-bromo-4-methoxyphenyl)methyl]cyclooctane
CID 65021185

Frequently Asked Questions

What is the IUPAC name of (S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine?
The IUPAC name of (S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine (CID 171224429) is (S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine.
What is the SMILES notation for (S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine?
The canonical SMILES for (S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine is COc1ccc(Br)c([C@@H](N)C2CCCCC2)c1.
What is the InChIKey of (S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine?
The InChIKey is YBTZLVGENRBEQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-17-11-7-8-13(15)12(9-11)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)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine?
(S)-(2-bromo-5-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)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine is sourced from PubChem (CID 171224429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).