2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine

C19H25N — CID 116542994

IUPAC2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
SMILESCC(C)Cc1cccc(C(C)(N)Cc2ccccc2)c1
InChIInChI=1S/C19H25N/c1-15(2)12-17-10-7-11-18(13-17)19(3,20)14-16-8-5-4-6-9-16/h4-11,13,15H,12,14,20H2,1-3H3
InChIKeyDCDAWVASACXXRQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.30
Rot. Bonds5

About 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine

2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine (PubChem CID 116542994) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
PubChem CID116542994
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
SMILESCC(C)Cc1cccc(C(C)(N)Cc2ccccc2)c1
InChIInChI=1S/C19H25N/c1-15(2)12-17-10-7-11-18(13-17)19(3,20)14-16-8-5-4-6-9-16/h4-11,13,15H,12,14,20H2,1-3H3
InChIKeyDCDAWVASACXXRQ-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
1-[3-(2-amino-2-phenylpropyl)phenyl]-2-phenylpropan-2-amine
CID 175440072
1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine
CID 116542976
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542789
2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408099
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513
1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
CID 114833794
1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542889

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine?
The IUPAC name of 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine (CID 116542994) is 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine.
What is the SMILES notation for 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine?
The canonical SMILES for 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine is CC(C)Cc1cccc(C(C)(N)Cc2ccccc2)c1.
What is the InChIKey of 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine?
The InChIKey is DCDAWVASACXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15(2)12-17-10-7-11-18(13-17)19(3,20)14-16-8-5-4-6-9-16/h4-11,13,15H,12,14,20H2,1-3H3.
What are the key properties of 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine?
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 116542994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).