(2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine

C16H18ClN — CID 143948461

IUPAC(2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine
SMILESC[C@@H](CN)Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN/c1-12(11-18)10-14-4-2-3-5-16(14)13-6-8-15(17)9-7-13/h2-9,12H,10-11,18H2,1H3/t12-/m1/s1
InChIKeyJIMTWBAMZWVVHH-GFCCVEGCSA-N
MW259.78 g/mol
LogP4.14
Rot. Bonds4

About (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine

(2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine (PubChem CID 143948461) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine
PubChem CID143948461
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name(2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine
SMILESC[C@@H](CN)Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN/c1-12(11-18)10-14-4-2-3-5-16(14)13-6-8-15(17)9-7-13/h2-9,12H,10-11,18H2,1H3/t12-/m1/s1
InChIKeyJIMTWBAMZWVVHH-GFCCVEGCSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine (CID 143948461) is (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine is C[C@@H](CN)Cc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine?
The InChIKey is JIMTWBAMZWVVHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12(11-18)10-14-4-2-3-5-16(14)13-6-8-15(17)9-7-13/h2-9,12H,10-11,18H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine?
(2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine has a molecular weight of 259.78 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 143948461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).