1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol

C15H21BrFNO — CID 65115701

IUPAC1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H21BrFNO/c1-11-4-6-15(19,7-5-11)10-18-9-12-8-13(16)2-3-14(12)17/h2-3,8,11,18-19H,4-7,9-10H2,1H3
InChIKeyJFQOBVRPMNXMHN-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.62
Rot. Bonds4

About 1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol

1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115701) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115701
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H21BrFNO/c1-11-4-6-15(19,7-5-11)10-18-9-12-8-13(16)2-3-14(12)17/h2-3,8,11,18-19H,4-7,9-10H2,1H3
InChIKeyJFQOBVRPMNXMHN-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

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Related Compounds

1-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117845
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115762
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol
CID 65117949
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
4-[[(2,5-difluorophenyl)methylamino]methyl]oxan-4-ol
CID 78928993
1-[[[2-(3-bromophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116445
1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116216
2-(4-bromo-2-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450671

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol (CID 65115701) is 1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCc2cc(Br)ccc2F)CC1.
What is the InChIKey of 1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is JFQOBVRPMNXMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-11-4-6-15(19,7-5-11)10-18-9-12-8-13(16)2-3-14(12)17/h2-3,8,11,18-19H,4-7,9-10H2,1H3.
What are the key properties of 1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol 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-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).