4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine

C15H23F2N — CID 65308385

IUPAC4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(C)CCc1cc(F)ccc1F
InChIInChI=1S/C15H23F2N/c1-4-9-18-11-15(2,3)8-7-12-10-13(16)5-6-14(12)17/h5-6,10,18H,4,7-9,11H2,1-3H3
InChIKeySYLBPSDVJKIJOH-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.92
Rot. Bonds7

About 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine

4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 65308385) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID65308385
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(C)CCc1cc(F)ccc1F
InChIInChI=1S/C15H23F2N/c1-4-9-18-11-15(2,3)8-7-12-10-13(16)5-6-14(12)17/h5-6,10,18H,4,7-9,11H2,1-3H3
InChIKeySYLBPSDVJKIJOH-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,5-difluorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135457
4-(3,4-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308797
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
CID 115204562
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
3-(3-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 103041034
5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
CID 65300561
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624967
2,2-dimethyl-4-(5-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 65308375
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
2-ethyl-1,4-difluorobenzene
CID 23202513

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine (CID 65308385) is 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine is CCCNCC(C)(C)CCc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is SYLBPSDVJKIJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-9-18-11-15(2,3)8-7-12-10-13(16)5-6-14(12)17/h5-6,10,18H,4,7-9,11H2,1-3H3.
What are the key properties of 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 65308385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).