1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol

C16H26FNO — CID 82315039

IUPAC1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
SMILESCCCCCCNC(C)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-4-5-6-7-10-18-13(3)16(19)14-8-9-15(17)12(2)11-14/h8-9,11,13,16,18-19H,4-7,10H2,1-3H3
InChIKeyLQVOJBTZOMORQO-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.73
Rot. Bonds8

About 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol

1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol (PubChem CID 82315039) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
PubChem CID82315039
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
SMILESCCCCCCNC(C)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-4-5-6-7-10-18-13(3)16(19)14-8-9-15(17)12(2)11-14/h8-9,11,13,16,18-19H,4-7,10H2,1-3H3
InChIKeyLQVOJBTZOMORQO-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(hexylamino)butan-1-ol
CID 82315089
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
(1R,2S)-2-(butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 70902725
4-[1-hydroxy-2-(3-hydroxypropylamino)propyl]-2-methylphenol
CID 110183946
2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312515
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
CID 82315070
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol (CID 82315039) is 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol is CCCCCCNC(C)C(O)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol?
The InChIKey is LQVOJBTZOMORQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-5-6-7-10-18-13(3)16(19)14-8-9-15(17)12(2)11-14/h8-9,11,13,16,18-19H,4-7,10H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol?
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol is sourced from PubChem (CID 82315039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).