2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol

C16H26FNO — CID 82315113

IUPAC2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
SMILESCCC(C)NC(C(C)C)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-6-12(5)18-15(10(2)3)16(19)13-7-8-14(17)11(4)9-13/h7-10,12,15-16,18-19H,6H2,1-5H3
InChIKeyRAAISJVCGVFVEO-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.58
Rot. Bonds6

About 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol

2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol (PubChem CID 82315113) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
PubChem CID82315113
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
SMILESCCC(C)NC(C(C)C)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-6-12(5)18-15(10(2)3)16(19)13-7-8-14(17)11(4)9-13/h7-10,12,15-16,18-19H,6H2,1-5H3
InChIKeyRAAISJVCGVFVEO-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312487
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63426051
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-diol
CID 171859509
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
CID 82315039
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)butan-1-ol
CID 82315089
2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
CID 82315070

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol (CID 82315113) is 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol is CCC(C)NC(C(C)C)C(O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is RAAISJVCGVFVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-12(5)18-15(10(2)3)16(19)13-7-8-14(17)11(4)9-13/h7-10,12,15-16,18-19H,6H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82315113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).