1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine

C19H25NO — CID 63455557

IUPAC1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
SMILESCc1cccc(OCCNC(C)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-14-6-5-7-18(13-14)21-11-10-20-17(4)19-9-8-15(2)12-16(19)3/h5-9,12-13,17,20H,10-11H2,1-4H3
InChIKeyPZRGHTDQRVTTCV-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.34
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine

1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine (PubChem CID 63455557) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
PubChem CID63455557
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
SMILESCc1cccc(OCCNC(C)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-14-6-5-7-18(13-14)21-11-10-20-17(4)19-9-8-15(2)12-16(19)3/h5-9,12-13,17,20H,10-11H2,1-4H3
InChIKeyPZRGHTDQRVTTCV-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 55012623
1-(3,4-difluorophenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60694256
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55012483
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
2-methyl-3-[2-(3-methylphenoxy)ethylamino]butanoic acid
CID 79392076
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline
CID 63505257
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine (CID 63455557) is 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine is Cc1cccc(OCCNC(C)c2ccc(C)cc2C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine?
The InChIKey is PZRGHTDQRVTTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-6-5-7-18(13-14)21-11-10-20-17(4)19-9-8-15(2)12-16(19)3/h5-9,12-13,17,20H,10-11H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 63455557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).