2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine

C16H17F2N — CID 82090474

IUPAC2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-16(2,10-19)13-5-3-11(4-6-13)12-7-14(17)9-15(18)8-12/h3-9H,10,19H2,1-2H3
InChIKeyPQGVXZCNAYBGDM-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.87
Rot. Bonds3

About 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine

2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine (PubChem CID 82090474) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine
PubChem CID82090474
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-16(2,10-19)13-5-3-11(4-6-13)12-7-14(17)9-15(18)8-12/h3-9H,10,19H2,1-2H3
InChIKeyPQGVXZCNAYBGDM-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
Triphenylbutanamine
CID 57094730
4-Phenylbenzylamine
CID 344989
2-Methyl-2-phenylpropan-1-amine
CID 210602
(2R)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
CID 9860006
(1-Phenylcyclohexyl)methanamine
CID 205110
Ethylamine, 2,2,2-triphenyl-, hydrochloride
CID 3033278
(1-(4-Fluorophenyl)cyclohexyl)methanamine
CID 20110059
{1-[3-(Trifluoromethyl)phenyl]cyclohexyl}methanamine
CID 28937892
4-tert-Butylbenzylamine
CID 2735655
2-(4-Tert-butylphenyl)ethan-1-amine
CID 2735689
2,3-Diphenylpropylamine
CID 38619

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine (CID 82090474) is 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine is CC(C)(CN)c1ccc(-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine?
The InChIKey is PQGVXZCNAYBGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-16(2,10-19)13-5-3-11(4-6-13)12-7-14(17)9-15(18)8-12/h3-9H,10,19H2,1-2H3.
What are the key properties of 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine?
2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82090474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).