[2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine

C15H22BrNO — CID 107275256

IUPAC[2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine
SMILESCC1CCC(Oc2ccc(CN)c(Br)c2)CC1C
InChIInChI=1S/C15H22BrNO/c1-10-3-5-13(7-11(10)2)18-14-6-4-12(9-17)15(16)8-14/h4,6,8,10-11,13H,3,5,7,9,17H2,1-2H3
InChIKeyPGQQXZGPHAIOOR-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.11
Rot. Bonds3

About [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine

[2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine (PubChem CID 107275256) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine
PubChem CID107275256
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine
SMILESCC1CCC(Oc2ccc(CN)c(Br)c2)CC1C
InChIInChI=1S/C15H22BrNO/c1-10-3-5-13(7-11(10)2)18-14-6-4-12(9-17)15(16)8-14/h4,6,8,10-11,13H,3,5,7,9,17H2,1-2H3
InChIKeyPGQQXZGPHAIOOR-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532712
2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine
CID 79799943
[2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
CID 64739585
4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene
CID 107171488
[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
CID 107275264
2-amino-4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 113419910
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
5-(3,4-dimethylcyclohexyl)oxy-2-nitroaniline
CID 106752069
3-(3,4-dimethylcyclohexyl)oxy-5-ethoxyaniline
CID 80748644
1-bromo-5-(bromomethyl)-2-(3,4-dimethylcyclohexyl)oxy-3-methoxybenzene
CID 64738583
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732
potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide
CID 83137073

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine (CID 107275256) is [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine is CC1CCC(Oc2ccc(CN)c(Br)c2)CC1C.
What is the InChIKey of [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is PGQQXZGPHAIOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-3-5-13(7-11(10)2)18-14-6-4-12(9-17)15(16)8-14/h4,6,8,10-11,13H,3,5,7,9,17H2,1-2H3.
What are the key properties of [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine?
[2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 312.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 107275256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).