1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol

C15H21BrFNO — CID 79709978

IUPAC1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C15H21BrFNO/c1-11-3-2-4-15(19,8-11)10-18-9-12-5-13(16)7-14(17)6-12/h5-7,11,18-19H,2-4,8-10H2,1H3
InChIKeyKWTOBXMZVPOJBB-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.62
Rot. Bonds4

About 1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol

1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 79709978) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
PubChem CID79709978
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C15H21BrFNO/c1-11-3-2-4-15(19,8-11)10-18-9-12-5-13(16)7-14(17)6-12/h5-7,11,18-19H,2-4,8-10H2,1H3
InChIKeyKWTOBXMZVPOJBB-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-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
1-[[(7-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934545
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 79702899
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761
1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 102911193
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79710411

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol (CID 79709978) is 1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCc2cc(F)cc(Br)c2)C1.
What is the InChIKey of 1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is KWTOBXMZVPOJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-11-3-2-4-15(19,8-11)10-18-9-12-5-13(16)7-14(17)6-12/h5-7,11,18-19H,2-4,8-10H2,1H3.
What are the key properties of 1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-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-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 79709978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).