3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol

C14H21F2NO — CID 103717148

IUPAC3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol
SMILESCC(NC(CCO)C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO/c1-9(2)14(6-7-18)17-10(3)11-4-5-12(15)13(16)8-11/h4-5,8-10,14,17-18H,6-7H2,1-3H3
InChIKeyZBRYXYQUEQCBEZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.02
Rot. Bonds6

About 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol

3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol (PubChem CID 103717148) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol
PubChem CID103717148
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol
SMILESCC(NC(CCO)C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO/c1-9(2)14(6-7-18)17-10(3)11-4-5-12(15)13(16)8-11/h4-5,8-10,14,17-18H,6-7H2,1-3H3
InChIKeyZBRYXYQUEQCBEZ-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 ≤ 500257.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040
5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol
CID 106348788
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
4-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzonitrile
CID 103921571
3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-4-methylpentan-1-ol
CID 103786472
4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
CID 43680984
3-[1-(3-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 81339647
3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol
CID 106348700
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
CID 43680964
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol (CID 103717148) is 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol is CC(NC(CCO)C(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol?
The InChIKey is ZBRYXYQUEQCBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-9(2)14(6-7-18)17-10(3)11-4-5-12(15)13(16)8-11/h4-5,8-10,14,17-18H,6-7H2,1-3H3.
What are the key properties of 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol?
3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol has a molecular weight of 257.32 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 3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 103717148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).