N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine

C19H25N — CID 63413775

IUPACN-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1ccccc1C
InChIInChI=1S/C19H25N/c1-14(2)17-11-9-16(10-12-17)13-19(20-4)18-8-6-5-7-15(18)3/h5-12,14,19-20H,13H2,1-4H3
InChIKeyPUNFRGDHGGBPHQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.62
Rot. Bonds5

About N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine

N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63413775) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID63413775
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1ccccc1C
InChIInChI=1S/C19H25N/c1-14(2)17-11-9-16(10-12-17)13-19(20-4)18-8-6-5-7-15(18)3/h5-12,14,19-20H,13H2,1-4H3
InChIKeyPUNFRGDHGGBPHQ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 63413775) is N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is PUNFRGDHGGBPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-14(2)17-11-9-16(10-12-17)13-19(20-4)18-8-6-5-7-15(18)3/h5-12,14,19-20H,13H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63413775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).