3-[4-(difluoromethyl)phenyl]butan-1-amine

C11H15F2N — CID 117288660

IUPAC3-[4-(difluoromethyl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2N/c1-8(6-7-14)9-2-4-10(5-3-9)11(12)13/h2-5,8,11H,6-7,14H2,1H3
InChIKeyHHIFTRPPGDPKSD-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.08
Rot. Bonds4

About 3-[4-(difluoromethyl)phenyl]butan-1-amine

3-[4-(difluoromethyl)phenyl]butan-1-amine (PubChem CID 117288660) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[4-(difluoromethyl)phenyl]butan-1-amine
PubChem CID117288660
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-[4-(difluoromethyl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2N/c1-8(6-7-14)9-2-4-10(5-3-9)11(12)13/h2-5,8,11H,6-7,14H2,1H3
InChIKeyHHIFTRPPGDPKSD-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632
3-(4-pyridin-4-ylphenyl)butan-1-amine
CID 82542949
4-[(2R)-4-aminobutan-2-yl]benzamide
CID 70592711
4-[4-(4-aminobutan-2-yl)phenoxy]aniline
CID 116996697
1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 115113530
1-[4-(difluoromethyl)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 115524252
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 3-[4-(difluoromethyl)phenyl]butan-1-amine (CID 117288660) is 3-[4-(difluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[4-(difluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 3-[4-(difluoromethyl)phenyl]butan-1-amine is CC(CCN)c1ccc(C(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethyl)phenyl]butan-1-amine?
The InChIKey is HHIFTRPPGDPKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-8(6-7-14)9-2-4-10(5-3-9)11(12)13/h2-5,8,11H,6-7,14H2,1H3.
What are the key properties of 3-[4-(difluoromethyl)phenyl]butan-1-amine?
3-[4-(difluoromethyl)phenyl]butan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 117288660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).