[3-methyl-2-(2-phenylethoxy)phenyl]methanamine

C16H19NO — CID 112607242

IUPAC[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
SMILESCc1cccc(CN)c1OCCc1ccccc1
InChIInChI=1S/C16H19NO/c1-13-6-5-9-15(12-17)16(13)18-11-10-14-7-3-2-4-8-14/h2-9H,10-12,17H2,1H3
InChIKeyJRRYRRLTQHSANU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.08
Rot. Bonds5

About [3-methyl-2-(2-phenylethoxy)phenyl]methanamine

[3-methyl-2-(2-phenylethoxy)phenyl]methanamine (PubChem CID 112607242) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [3-methyl-2-(2-phenylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
PubChem CID112607242
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
SMILESCc1cccc(CN)c1OCCc1ccccc1
InChIInChI=1S/C16H19NO/c1-13-6-5-9-15(12-17)16(13)18-11-10-14-7-3-2-4-8-14/h2-9H,10-12,17H2,1H3
InChIKeyJRRYRRLTQHSANU-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-2-(2-phenylethoxy)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-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 107105932
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
CID 28967110
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
CID 114333944
1-(bromomethyl)-3-methyl-2-(4-phenylbutoxy)benzene
CID 114334011
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
1,3-dimethyl-2-(4-phenylbutoxy)benzene
CID 114334885
2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine
CID 106722438
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(2-phenylethoxy)phenyl]methanamine?
The IUPAC name of [3-methyl-2-(2-phenylethoxy)phenyl]methanamine (CID 112607242) is [3-methyl-2-(2-phenylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-methyl-2-(2-phenylethoxy)phenyl]methanamine?
The canonical SMILES for [3-methyl-2-(2-phenylethoxy)phenyl]methanamine is Cc1cccc(CN)c1OCCc1ccccc1.
What is the InChIKey of [3-methyl-2-(2-phenylethoxy)phenyl]methanamine?
The InChIKey is JRRYRRLTQHSANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-6-5-9-15(12-17)16(13)18-11-10-14-7-3-2-4-8-14/h2-9H,10-12,17H2,1H3.
What are the key properties of [3-methyl-2-(2-phenylethoxy)phenyl]methanamine?
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-phenylethoxy)phenyl]methanamine is sourced from PubChem (CID 112607242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).