[3-methyl-4-(4-methylphenoxy)phenyl]methanamine

C15H17NO — CID 55025691

IUPAC[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)cc2C)cc1
InChIInChI=1S/C15H17NO/c1-11-3-6-14(7-4-11)17-15-8-5-13(10-16)9-12(15)2/h3-9H,10,16H2,1-2H3
InChIKeyWCQZWJDIHCKMAR-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.55
Rot. Bonds3

About [3-methyl-4-(4-methylphenoxy)phenyl]methanamine

[3-methyl-4-(4-methylphenoxy)phenyl]methanamine (PubChem CID 55025691) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is [3-methyl-4-(4-methylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
PubChem CID55025691
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)cc2C)cc1
InChIInChI=1S/C15H17NO/c1-11-3-6-14(7-4-11)17-15-8-5-13(10-16)9-12(15)2/h3-9H,10,16H2,1-2H3
InChIKeyWCQZWJDIHCKMAR-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-4-(4-methylphenoxy)phenyl]methanamine 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-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 63457064
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 20986827
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
2-[3-methyl-4-(4-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803669
2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
CID 82044821
1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(4-methylphenoxy)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(4-methylphenoxy)phenyl]methanamine (CID 55025691) is [3-methyl-4-(4-methylphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(4-methylphenoxy)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(4-methylphenoxy)phenyl]methanamine is Cc1ccc(Oc2ccc(CN)cc2C)cc1.
What is the InChIKey of [3-methyl-4-(4-methylphenoxy)phenyl]methanamine?
The InChIKey is WCQZWJDIHCKMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-3-6-14(7-4-11)17-15-8-5-13(10-16)9-12(15)2/h3-9H,10,16H2,1-2H3.
What are the key properties of [3-methyl-4-(4-methylphenoxy)phenyl]methanamine?
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(4-methylphenoxy)phenyl]methanamine is sourced from PubChem (CID 55025691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).