[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol

C15H21BrFNO — CID 79138719

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H21BrFNO/c1-10-4-6-15(9-18,7-5-10)14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,14,19H,4-7,9,18H2,1H3
InChIKeyBALPBRVXJSPNII-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.78
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol

[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol (PubChem CID 79138719) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
PubChem CID79138719
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H21BrFNO/c1-10-4-6-15(9-18,7-5-10)14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,14,19H,4-7,9,18H2,1H3
InChIKeyBALPBRVXJSPNII-UHFFFAOYSA-N
XLogP3.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79137679
[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol
CID 79136010
[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
CID 79137858
[1-(aminomethyl)-4-methylcyclohexyl]-(5-bromo-3-pyridinyl)methanol
CID 113469921
[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452503
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
CID 79138448
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,5-difluorophenyl)methanol
CID 79138372
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanol
CID 79135081
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol
CID 79137897

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol (CID 79138719) is [1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol is CC1CCC(CN)(C(O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol?
The InChIKey is BALPBRVXJSPNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-10-4-6-15(9-18,7-5-10)14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,14,19H,4-7,9,18H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol?
[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol has a molecular weight of 330.24 g/mol, XLogP of 3.78, 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]-(4-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 79138719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).