3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine

C21H29N — CID 142945347

IUPAC3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(C(CCNC(C)C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H29N/c1-15(2)22-13-12-20(19-10-7-16(3)8-11-19)21-14-17(4)6-9-18(21)5/h6-11,14-15,20,22H,12-13H2,1-5H3
InChIKeyKIWJFGYCKWHYMZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.13
Rot. Bonds6

About 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine

3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 142945347) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID142945347
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(C(CCNC(C)C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H29N/c1-15(2)22-13-12-20(19-10-7-16(3)8-11-19)21-14-17(4)6-9-18(21)5/h6-11,14-15,20,22H,12-13H2,1-5H3
InChIKeyKIWJFGYCKWHYMZ-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 142945347) is 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine is Cc1ccc(C(CCNC(C)C)c2cc(C)ccc2C)cc1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is KIWJFGYCKWHYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-15(2)22-13-12-20(19-10-7-16(3)8-11-19)21-14-17(4)6-9-18(21)5/h6-11,14-15,20,22H,12-13H2,1-5H3.
What are the key properties of 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 142945347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).