4-(3,4-difluorophenyl)-N-ethylpentan-2-amine

C13H19F2N — CID 64719429

IUPAC4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2N/c1-4-16-10(3)7-9(2)11-5-6-12(14)13(15)8-11/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyQUUSOVVQPQWKFK-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.46
Rot. Bonds5

About 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine

4-(3,4-difluorophenyl)-N-ethylpentan-2-amine (PubChem CID 64719429) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
PubChem CID64719429
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2N/c1-4-16-10(3)7-9(2)11-5-6-12(14)13(15)8-11/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyQUUSOVVQPQWKFK-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
CID 64720996
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 64613894
4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
CID 64720986
1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63413122
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
4-(1-bromopropan-2-yl)-1,2-difluorobenzene
CID 66469255
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine (CID 64719429) is 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine is CCNC(C)CC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine?
The InChIKey is QUUSOVVQPQWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-4-16-10(3)7-9(2)11-5-6-12(14)13(15)8-11/h5-6,8-10,16H,4,7H2,1-3H3.
What are the key properties of 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine?
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64719429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).