3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine

C16H17F2N — CID 82542632

IUPAC3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-11(8-9-19)12-2-4-13(5-3-12)14-6-7-15(17)16(18)10-14/h2-7,10-11H,8-9,19H2,1H3
InChIKeyMEDSCUXGRALPEJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.08
Rot. Bonds4

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

3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine (PubChem CID 82542632) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
PubChem CID82542632
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-11(8-9-19)12-2-4-13(5-3-12)14-6-7-15(17)16(18)10-14/h2-7,10-11H,8-9,19H2,1H3
InChIKeyMEDSCUXGRALPEJ-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542631
3-(4-pyridin-4-ylphenyl)butan-1-amine
CID 82542949
2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol
CID 82296845
3-[4-(difluoromethyl)phenyl]butan-1-amine
CID 117288660
3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542814
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine
CID 61033431
4-(1-bromopropan-2-yl)-1,2-difluorobenzene
CID 66469255
6-(3,4-difluorophenyl)heptan-3-amine
CID 83936159
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949581
1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
CID 82541956

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine?
The IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine (CID 82542632) is 3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine?
The canonical SMILES for 3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine is CC(CCN)c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine?
The InChIKey is MEDSCUXGRALPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11(8-9-19)12-2-4-13(5-3-12)14-6-7-15(17)16(18)10-14/h2-7,10-11H,8-9,19H2,1H3.
What are the key properties of 3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine?
3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine is sourced from PubChem (CID 82542632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).