[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol

C15H21BrFNO — CID 62553023

IUPAC[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ccc(F)cc2Br)C1
InChIInChI=1S/C15H21BrFNO/c1-11-3-2-6-15(8-11,10-19)18-9-12-4-5-13(17)7-14(12)16/h4-5,7,11,18-19H,2-3,6,8-10H2,1H3
InChIKeyPFHWCXTYHFHAKL-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.62
Rot. Bonds4

About [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol

[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol (PubChem CID 62553023) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
PubChem CID62553023
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ccc(F)cc2Br)C1
InChIInChI=1S/C15H21BrFNO/c1-11-3-2-6-15(8-11,10-19)18-9-12-4-5-13(17)7-14(12)16/h4-5,7,11,18-19H,2-3,6,8-10H2,1H3
InChIKeyPFHWCXTYHFHAKL-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol with MolForge

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115732717
[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62551822
1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029735
N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65393451
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
[1-[(3,5-dibromo-4-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62552336
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol (CID 62553023) is [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCc2ccc(F)cc2Br)C1.
What is the InChIKey of [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol?
The InChIKey is PFHWCXTYHFHAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-11-3-2-6-15(8-11,10-19)18-9-12-4-5-13(17)7-14(12)16/h4-5,7,11,18-19H,2-3,6,8-10H2,1H3.
What are the key properties of [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol?
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol has a molecular weight of 330.24 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62553023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).