4-(2,6-difluorophenyl)-2-phenylbutan-1-amine

C16H17F2N — CID 114935148

IUPAC4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
SMILESNCC(CCc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H17F2N/c17-15-7-4-8-16(18)14(15)10-9-13(11-19)12-5-2-1-3-6-12/h1-8,13H,9-11,19H2
InChIKeyBNUXAXZMKOJERB-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.64
Rot. Bonds5

About 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine

4-(2,6-difluorophenyl)-2-phenylbutan-1-amine (PubChem CID 114935148) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
PubChem CID114935148
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
SMILESNCC(CCc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H17F2N/c17-15-7-4-8-16(18)14(15)10-9-13(11-19)12-5-2-1-3-6-12/h1-8,13H,9-11,19H2
InChIKeyBNUXAXZMKOJERB-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylbutane-1,4-diamine
CID 16770348
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene
CID 64506677
4-(5-chloro-2-fluorophenyl)-2-phenylbutan-1-amine
CID 103051753
2-phenylpentane-1,5-diamine
CID 22770284
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297
4-naphthalen-1-yl-2-phenylbutan-1-amine
CID 81011301
2-phenylpentan-1-amine
CID 14321247
4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027454
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine?
The IUPAC name of 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine (CID 114935148) is 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine?
The canonical SMILES for 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine is NCC(CCc1c(F)cccc1F)c1ccccc1.
What is the InChIKey of 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine?
The InChIKey is BNUXAXZMKOJERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c17-15-7-4-8-16(18)14(15)10-9-13(11-19)12-5-2-1-3-6-12/h1-8,13H,9-11,19H2.
What are the key properties of 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine?
4-(2,6-difluorophenyl)-2-phenylbutan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 114935148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).