1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine

C19H25NO — CID 60958113

IUPAC1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNC(C)c2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO/c1-4-12-21-19-7-5-6-17(13-19)14-20-16(3)18-10-8-15(2)9-11-18/h5-11,13,16,20H,4,12,14H2,1-3H3
InChIKeyVBLKVKDYYMEFHD-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.63
Rot. Bonds7

About 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine

1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine (PubChem CID 60958113) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
PubChem CID60958113
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNC(C)c2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO/c1-4-12-21-19-7-5-6-17(13-19)14-20-16(3)18-10-8-15(2)9-11-18/h5-11,13,16,20H,4,12,14H2,1-3H3
InChIKeyVBLKVKDYYMEFHD-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]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

(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60956086
(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81363781
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955260
1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine
CID 113407229
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51993062
N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 60871822

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine (CID 60958113) is 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine is CCCOc1cccc(CNC(C)c2ccc(C)cc2)c1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The InChIKey is VBLKVKDYYMEFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-12-21-19-7-5-6-17(13-19)14-20-16(3)18-10-8-15(2)9-11-18/h5-11,13,16,20H,4,12,14H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60958113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).