5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol

C15H24FNO — CID 111468002

IUPAC5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCc1cc(F)ccc1CNCC(C)(C)CC(C)O
InChIInChI=1S/C15H24FNO/c1-11-7-14(16)6-5-13(11)9-17-10-15(3,4)8-12(2)18/h5-7,12,17-18H,8-10H2,1-4H3
InChIKeyOGOAAYLMHPWFTQ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.02
Rot. Bonds6

About 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol

5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 111468002) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID111468002
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCc1cc(F)ccc1CNCC(C)(C)CC(C)O
InChIInChI=1S/C15H24FNO/c1-11-7-14(16)6-5-13(11)9-17-10-15(3,4)8-12(2)18/h5-7,12,17-18H,8-10H2,1-4H3
InChIKeyOGOAAYLMHPWFTQ-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol
CID 114349443
5-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 111467997
1-(dimethylamino)-3-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 103839019
5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 111467905
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 111468025
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114349189
2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111479742
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol (CID 111468002) is 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol is Cc1cc(F)ccc1CNCC(C)(C)CC(C)O.
What is the InChIKey of 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is OGOAAYLMHPWFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11-7-14(16)6-5-13(11)9-17-10-15(3,4)8-12(2)18/h5-7,12,17-18H,8-10H2,1-4H3.
What are the key properties of 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 253.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 111468002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).