N,2-dimethyl-1-(2-methylphenyl)propan-1-amine

C12H19N — CID 54592945

IUPACN,2-dimethyl-1-(2-methylphenyl)propan-1-amine
SMILESCNC(c1ccccc1C)C(C)C
InChIInChI=1S/C12H19N/c1-9(2)12(13-4)11-8-6-5-7-10(11)3/h5-9,12-13H,1-4H3
InChIKeyLBDFWZDQEYNLGK-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.91
Rot. Bonds3

About N,2-dimethyl-1-(2-methylphenyl)propan-1-amine

N,2-dimethyl-1-(2-methylphenyl)propan-1-amine (PubChem CID 54592945) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,2-dimethyl-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(2-methylphenyl)propan-1-amine
PubChem CID54592945
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,2-dimethyl-1-(2-methylphenyl)propan-1-amine
SMILESCNC(c1ccccc1C)C(C)C
InChIInChI=1S/C12H19N/c1-9(2)12(13-4)11-8-6-5-7-10(11)3/h5-9,12-13H,1-4H3
InChIKeyLBDFWZDQEYNLGK-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of N,2-dimethyl-1-(2-methylphenyl)propan-1-amine (CID 54592945) is N,2-dimethyl-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(2-methylphenyl)propan-1-amine is CNC(c1ccccc1C)C(C)C.
What is the InChIKey of N,2-dimethyl-1-(2-methylphenyl)propan-1-amine?
The InChIKey is LBDFWZDQEYNLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)12(13-4)11-8-6-5-7-10(11)3/h5-9,12-13H,1-4H3.
What are the key properties of N,2-dimethyl-1-(2-methylphenyl)propan-1-amine?
N,2-dimethyl-1-(2-methylphenyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 54592945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).