[5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine

C18H23N — CID 68534451

IUPAC[5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine
SMILESCC(C)(C)Cc1ccc(-c2ccccc2)c(CN)c1
InChIInChI=1S/C18H23N/c1-18(2,3)12-14-9-10-17(16(11-14)13-19)15-7-5-4-6-8-15/h4-11H,12-13,19H2,1-3H3
InChIKeyLPODJKJLEUDLHR-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.40
Rot. Bonds3

About [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine

[5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine (PubChem CID 68534451) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine.

Molecular Properties

Compound Name[5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine
PubChem CID68534451
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name[5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine
SMILESCC(C)(C)Cc1ccc(-c2ccccc2)c(CN)c1
InChIInChI=1S/C18H23N/c1-18(2,3)12-14-9-10-17(16(11-14)13-19)15-7-5-4-6-8-15/h4-11H,12-13,19H2,1-3H3
InChIKeyLPODJKJLEUDLHR-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine?
The IUPAC name of [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine (CID 68534451) is [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine.
What is the SMILES notation for [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine?
The canonical SMILES for [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine is CC(C)(C)Cc1ccc(-c2ccccc2)c(CN)c1.
What is the InChIKey of [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine?
The InChIKey is LPODJKJLEUDLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-18(2,3)12-14-9-10-17(16(11-14)13-19)15-7-5-4-6-8-15/h4-11H,12-13,19H2,1-3H3.
What are the key properties of [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine?
[5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine has a molecular weight of 253.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine is sourced from PubChem (CID 68534451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).