3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol

C16H26FNO — CID 104925953

IUPAC3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol
SMILESCC(Cc1cccc(F)c1)NC(CCO)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-12(10-13-6-5-7-14(17)11-13)18-15(8-9-19)16(2,3)4/h5-7,11-12,15,18-19H,8-10H2,1-4H3
InChIKeyCWYLEWYVHULVDB-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.14
Rot. Bonds6

About 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol

3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol (PubChem CID 104925953) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol
PubChem CID104925953
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol
SMILESCC(Cc1cccc(F)c1)NC(CCO)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-12(10-13-6-5-7-14(17)11-13)18-15(8-9-19)16(2,3)4/h5-7,11-12,15,18-19H,8-10H2,1-4H3
InChIKeyCWYLEWYVHULVDB-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949846
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine
CID 113262395
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol (CID 104925953) is 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol is CC(Cc1cccc(F)c1)NC(CCO)C(C)(C)C.
What is the InChIKey of 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is CWYLEWYVHULVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-12(10-13-6-5-7-14(17)11-13)18-15(8-9-19)16(2,3)4/h5-7,11-12,15,18-19H,8-10H2,1-4H3.
What are the key properties of 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol?
3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104925953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).