2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine

C18H22ClN — CID 63408099

IUPAC2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1ccc(CC(C)(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClN/c1-13(2)15-9-7-14(8-10-15)12-18(3,20)16-5-4-6-17(19)11-16/h4-11,13H,12,20H2,1-3H3
InChIKeyGTVPSIGBPICAIE-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.88
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine

2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine (PubChem CID 63408099) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
PubChem CID63408099
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1ccc(CC(C)(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClN/c1-13(2)15-9-7-14(8-10-15)12-18(3,20)16-5-4-6-17(19)11-16/h4-11,13H,12,20H2,1-3H3
InChIKeyGTVPSIGBPICAIE-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408137
2-(3-chlorophenyl)-1-pyridin-3-ylpropan-2-amine
CID 104735876
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
CID 116542994
1-(2-methyl-2-phenylpropyl)-4-propan-2-ylbenzene
CID 57304715
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 114872632
2-(3-chlorophenyl)-5-phenylpentan-2-amine
CID 55095968
2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine
CID 79745086
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 55096491
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine (CID 63408099) is 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine is CC(C)c1ccc(CC(C)(N)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine?
The InChIKey is GTVPSIGBPICAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-13(2)15-9-7-14(8-10-15)12-18(3,20)16-5-4-6-17(19)11-16/h4-11,13H,12,20H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine?
2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 63408099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).