N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine

C13H21NO — CID 2850780

IUPACN-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc(C)cc1C
InChIInChI=1S/C13H21NO/c1-10-5-6-13(11(2)7-10)8-14-12(3)9-15-4/h5-7,12,14H,8-9H2,1-4H3
InChIKeyAAAFNFZYVYYALD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.43
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine

N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 2850780) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine
PubChem CID2850780
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc(C)cc1C
InChIInChI=1S/C13H21NO/c1-10-5-6-13(11(2)7-10)8-14-12(3)9-15-4/h5-7,12,14H,8-9H2,1-4H3
InChIKeyAAAFNFZYVYYALD-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine (CID 2850780) is N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is AAAFNFZYVYYALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-5-6-13(11(2)7-10)8-14-12(3)9-15-4/h5-7,12,14H,8-9H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine?
N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 2850780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).