[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol

C15H22BrNO — CID 79136010

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO/c1-11-5-7-15(10-17,8-6-11)14(18)12-3-2-4-13(16)9-12/h2-4,9,11,14,18H,5-8,10,17H2,1H3
InChIKeyRDOKLZDCWQRTDH-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.64
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol

[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol (PubChem CID 79136010) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol
PubChem CID79136010
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO/c1-11-5-7-15(10-17,8-6-11)14(18)12-3-2-4-13(16)9-12/h2-4,9,11,14,18H,5-8,10,17H2,1H3
InChIKeyRDOKLZDCWQRTDH-UHFFFAOYSA-N
XLogP3.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
[1-(aminomethyl)-4-methylcyclohexyl]-(5-bromo-3-pyridinyl)methanol
CID 113469921
[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79138719
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol
CID 79137897
[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
CID 79137858
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348
[1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123901
[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol
CID 79976714
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138512
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
CID 79137949
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol (CID 79136010) is [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol is CC1CCC(CN)(C(O)c2cccc(Br)c2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol?
The InChIKey is RDOKLZDCWQRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-5-7-15(10-17,8-6-11)14(18)12-3-2-4-13(16)9-12/h2-4,9,11,14,18H,5-8,10,17H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol?
[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol has a molecular weight of 312.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol is sourced from PubChem (CID 79136010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).