(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine

C16H24BrNO — CID 107177622

IUPAC(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CCCCC2(C)C)c(Br)c1
InChIInChI=1S/C16H24BrNO/c1-16(2)9-5-4-6-13(16)15(18)12-8-7-11(19-3)10-14(12)17/h7-8,10,13,15H,4-6,9,18H2,1-3H3
InChIKeyCETXFDGBYQTLMN-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.67
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine

(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine (PubChem CID 107177622) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
PubChem CID107177622
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CCCCC2(C)C)c(Br)c1
InChIInChI=1S/C16H24BrNO/c1-16(2)9-5-4-6-13(16)15(18)12-8-7-11(19-3)10-14(12)17/h7-8,10,13,15H,4-6,9,18H2,1-3H3
InChIKeyCETXFDGBYQTLMN-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478
2-bromo-1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-ethoxybenzene
CID 107182502
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107178296
[2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]hydrazine
CID 107194005
(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177827
(4-bromo-3-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191802
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 107189233
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
[bromo-(2-bromo-4-methoxyphenyl)methyl]cyclooctane
CID 65021185

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine (CID 107177622) is (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine is COc1ccc(C(N)C2CCCCC2(C)C)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The InChIKey is CETXFDGBYQTLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-16(2)9-5-4-6-13(16)15(18)12-8-7-11(19-3)10-14(12)17/h7-8,10,13,15H,4-6,9,18H2,1-3H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine has a molecular weight of 326.28 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107177622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).