1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine

C18H23N — CID 61481647

IUPAC1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine
SMILESCCC(N)(Cc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C18H23N/c1-4-18(19,17-8-6-5-7-9-17)13-16-12-14(2)10-11-15(16)3/h5-12H,4,13,19H2,1-3H3
InChIKeyBSSVKBXIJZJJMZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.11
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine

1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine (PubChem CID 61481647) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine
PubChem CID61481647
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine
SMILESCCC(N)(Cc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C18H23N/c1-4-18(19,17-8-6-5-7-9-17)13-16-12-14(2)10-11-15(16)3/h5-12H,4,13,19H2,1-3H3
InChIKeyBSSVKBXIJZJJMZ-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine (CID 61481647) is 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine is CCC(N)(Cc1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine?
The InChIKey is BSSVKBXIJZJJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-18(19,17-8-6-5-7-9-17)13-16-12-14(2)10-11-15(16)3/h5-12H,4,13,19H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine?
1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine is sourced from PubChem (CID 61481647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).