(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine

C12H17F2N — CID 28780270

IUPAC(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@H](N)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-8(2)3-6-12(15)10-5-4-9(13)7-11(10)14/h4-5,7-8,12H,3,6,15H2,1-2H3/t12-/m0/s1
InChIKeyUUDXHPQWIHBOBS-LBPRGKRZSA-N
MW213.27 g/mol
LogP3.40
Rot. Bonds4

About (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine

(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine (PubChem CID 28780270) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
PubChem CID28780270
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@H](N)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-8(2)3-6-12(15)10-5-4-9(13)7-11(10)14/h4-5,7-8,12H,3,6,15H2,1-2H3/t12-/m0/s1
InChIKeyUUDXHPQWIHBOBS-LBPRGKRZSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516
(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171209069
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-ol
CID 171266705
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
(1S)-1-(4-fluoro-2-nitrophenyl)-4-methylpentan-1-amine
CID 171225670

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine (CID 28780270) is (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine is CC(C)CC[C@H](N)c1ccc(F)cc1F.
What is the InChIKey of (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine?
The InChIKey is UUDXHPQWIHBOBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(2)3-6-12(15)10-5-4-9(13)7-11(10)14/h4-5,7-8,12H,3,6,15H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine?
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 28780270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).