N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine

C13H19F2N — CID 82262467

IUPACN-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine
SMILESCCCCNC(C)Cc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-3-4-7-16-10(2)8-11-9-12(14)5-6-13(11)15/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyUATMOGQTFQXOJH-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.29
Rot. Bonds6

About N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine

N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine (PubChem CID 82262467) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine
PubChem CID82262467
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine
SMILESCCCCNC(C)Cc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-3-4-7-16-10(2)8-11-9-12(14)5-6-13(11)15/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyUATMOGQTFQXOJH-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.29
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

N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
ethyl 3-(butylamino)-4-(2,5-difluorophenyl)butanoate
CID 82351908
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
2-(3-bromo-2-methylpentyl)-1,4-difluorobenzene
CID 63560139
1-(2,5-difluorophenyl)octan-2-ol
CID 63901614
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine (CID 82262467) is N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine is CCCCNC(C)Cc1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine?
The InChIKey is UATMOGQTFQXOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-4-7-16-10(2)8-11-9-12(14)5-6-13(11)15/h5-6,9-10,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine?
N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine is sourced from PubChem (CID 82262467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).