[3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine

C17H21N — CID 175663793

IUPAC[3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine
SMILESCc1cc(CN)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C17H21N/c1-12(2)16-6-4-5-7-17(16)15-9-13(3)8-14(10-15)11-18/h4-10,12H,11,18H2,1-3H3
InChIKeyLDELSFOOXAJWIM-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.24
Rot. Bonds3

About [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine

[3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine (PubChem CID 175663793) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine
PubChem CID175663793
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name[3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine
SMILESCc1cc(CN)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C17H21N/c1-12(2)16-6-4-5-7-17(16)15-9-13(3)8-14(10-15)11-18/h4-10,12H,11,18H2,1-3H3
InChIKeyLDELSFOOXAJWIM-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine?
The IUPAC name of [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine (CID 175663793) is [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine?
The canonical SMILES for [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine is Cc1cc(CN)cc(-c2ccccc2C(C)C)c1.
What is the InChIKey of [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine?
The InChIKey is LDELSFOOXAJWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12(2)16-6-4-5-7-17(16)15-9-13(3)8-14(10-15)11-18/h4-10,12H,11,18H2,1-3H3.
What are the key properties of [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine?
[3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine has a molecular weight of 239.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine is sourced from PubChem (CID 175663793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).