4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol

C14H21F2NO — CID 103924841

IUPAC4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
SMILESCC(NCC(C)(C)CCO)c1cccc(F)c1F
InChIInChI=1S/C14H21F2NO/c1-10(17-9-14(2,3)7-8-18)11-5-4-6-12(15)13(11)16/h4-6,10,17-18H,7-9H2,1-3H3
InChIKeyCXURRCXSAQBPCL-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.02
Rot. Bonds6

About 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol

4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol (PubChem CID 103924841) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
PubChem CID103924841
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
SMILESCC(NCC(C)(C)CCO)c1cccc(F)c1F
InChIInChI=1S/C14H21F2NO/c1-10(17-9-14(2,3)7-8-18)11-5-4-6-12(15)13(11)16/h4-6,10,17-18H,7-9H2,1-3H3
InChIKeyCXURRCXSAQBPCL-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

N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628826
4-[1-(2-bromo-4-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787544
2-[1-[(4-hydroxy-2,2-dimethylbutyl)amino]ethyl]benzene-1,4-diol
CID 106143682
4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013
3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
CID 106144463
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
1-(2,3-difluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107269897
N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide
CID 103878479
N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115897219
N-[1-(2,3-difluorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 103924762
4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787619

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol (CID 103924841) is 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol is CC(NCC(C)(C)CCO)c1cccc(F)c1F.
What is the InChIKey of 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol?
The InChIKey is CXURRCXSAQBPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(17-9-14(2,3)7-8-18)11-5-4-6-12(15)13(11)16/h4-6,10,17-18H,7-9H2,1-3H3.
What are the key properties of 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol?
4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-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 4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103924841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).