3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine

C18H19NO — CID 60801508

IUPAC3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESCc1ccc(COc2ccc(C)cc2C#CCN)cc1
InChIInChI=1S/C18H19NO/c1-14-5-8-16(9-6-14)13-20-18-10-7-15(2)12-17(18)4-3-11-19/h5-10,12H,11,13,19H2,1-2H3
InChIKeyJEGXEZMKYRWCPD-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.19
Rot. Bonds3

About 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine

3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine (PubChem CID 60801508) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
PubChem CID60801508
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESCc1ccc(COc2ccc(C)cc2C#CCN)cc1
InChIInChI=1S/C18H19NO/c1-14-5-8-16(9-6-14)13-20-18-10-7-15(2)12-17(18)4-3-11-19/h5-10,12H,11,13,19H2,1-2H3
InChIKeyJEGXEZMKYRWCPD-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine 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

3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 60801205
3-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 54923523
2-(4-chlorobut-1-ynyl)-4-methyl-1-[(4-methylphenyl)methoxy]benzene
CID 60800112
3-[5-methyl-2-(2-methylpropoxy)phenyl]prop-2-yn-1-amine
CID 60801034
3-[2-(2,2-difluoroethoxy)-5-methylphenyl]prop-2-yn-1-amine
CID 60921910
3-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 103049253
3-(2-heptoxy-5-methylphenyl)prop-2-yn-1-amine
CID 60801193
3-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801672
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800953
3-[5-methyl-2-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051748
3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 61030126
3-[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 61482091

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine (CID 60801508) is 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine is Cc1ccc(COc2ccc(C)cc2C#CCN)cc1.
What is the InChIKey of 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is JEGXEZMKYRWCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-5-8-16(9-6-14)13-20-18-10-7-15(2)12-17(18)4-3-11-19/h5-10,12H,11,13,19H2,1-2H3.
What are the key properties of 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine?
3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 60801508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).