1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine

C15H23F2N — CID 82984479

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(F)c(C)cc1F
InChIInChI=1S/C15H23F2N/c1-4-6-11(7-5-2)15(18)12-9-13(16)10(3)8-14(12)17/h8-9,11,15H,4-7,18H2,1-3H3
InChIKeyHQJMTSHPDLSFNF-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.49
Rot. Bonds6

About 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine

1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine (PubChem CID 82984479) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine
PubChem CID82984479
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(F)c(C)cc1F
InChIInChI=1S/C15H23F2N/c1-4-6-11(7-5-2)15(18)12-9-13(16)10(3)8-14(12)17/h8-9,11,15H,4-7,18H2,1-3H3
InChIKeyHQJMTSHPDLSFNF-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)heptan-1-amine
CID 114752602
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171160160
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171161591
1-(2,4-difluoro-5-methylphenyl)decan-1-amine
CID 79723933
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine
CID 131007811
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 79724625
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
CID 131151166
1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine
CID 82984366
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171160289
(1S,2R)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171161723

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine (CID 82984479) is 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1cc(F)c(C)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine?
The InChIKey is HQJMTSHPDLSFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-6-11(7-5-2)15(18)12-9-13(16)10(3)8-14(12)17/h8-9,11,15H,4-7,18H2,1-3H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine?
1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 82984479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).