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

C15H22BrNO — CID 114900857

IUPAC[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine
SMILESCC1(C)CCC(Oc2cc(Br)ccc2CN)CC1
InChIInChI=1S/C15H22BrNO/c1-15(2)7-5-13(6-8-15)18-14-9-12(16)4-3-11(14)10-17/h3-4,9,13H,5-8,10,17H2,1-2H3
InChIKeyJYRHLNOIDWQUJY-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.26
Rot. Bonds3

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

[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine (PubChem CID 114900857) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine
PubChem CID114900857
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine
SMILESCC1(C)CCC(Oc2cc(Br)ccc2CN)CC1
InChIInChI=1S/C15H22BrNO/c1-15(2)7-5-13(6-8-15)18-14-9-12(16)4-3-11(14)10-17/h3-4,9,13H,5-8,10,17H2,1-2H3
InChIKeyJYRHLNOIDWQUJY-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696
1-[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]ethanone
CID 114341240
5-bromo-2-(4,4-dimethylcyclohexyl)oxybenzenecarbothioamide
CID 114892302
4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine
CID 65342799
4-bromo-2-(4,4-dimethylcyclohexyl)oxy-5-fluoroaniline
CID 114340413
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline
CID 114340540
[4-bromo-2-(oxan-2-ylmethoxy)phenyl]methanamine
CID 113222838
[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 115581634
[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine
CID 117495123
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
CID 117428416

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine (CID 114900857) is [4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine is CC1(C)CCC(Oc2cc(Br)ccc2CN)CC1.
What is the InChIKey of [4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is JYRHLNOIDWQUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-15(2)7-5-13(6-8-15)18-14-9-12(16)4-3-11(14)10-17/h3-4,9,13H,5-8,10,17H2,1-2H3.
What are the key properties of [4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine?
[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 312.25 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 114900857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).