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

C14H22FNO — CID 115894977

IUPAC3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
SMILESCC(Cc1cccc(F)c1)NCC(C)(C)CO
InChIInChI=1S/C14H22FNO/c1-11(16-9-14(2,3)10-17)7-12-5-4-6-13(15)8-12/h4-6,8,11,16-17H,7,9-10H2,1-3H3
InChIKeyCFIBVDNWEUHIOH-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.36
Rot. Bonds6

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

3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115894977) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
PubChem CID115894977
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
SMILESCC(Cc1cccc(F)c1)NCC(C)(C)CO
InChIInChI=1S/C14H22FNO/c1-11(16-9-14(2,3)10-17)7-12-5-4-6-13(15)8-12/h4-6,8,11,16-17H,7,9-10H2,1-3H3
InChIKeyCFIBVDNWEUHIOH-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate
CID 103788194
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115720190
3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol
CID 104925953
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 81413862
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719668
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol (CID 115894977) is 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol is CC(Cc1cccc(F)c1)NCC(C)(C)CO.
What is the InChIKey of 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is CFIBVDNWEUHIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(16-9-14(2,3)10-17)7-12-5-4-6-13(15)8-12/h4-6,8,11,16-17H,7,9-10H2,1-3H3.
What are the key properties of 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol?
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.36, 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]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115894977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).