3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol

C16H20N2O — CID 107733903

IUPAC3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol
SMILESCCN(Cc1cccc(N)c1C)c1cccc(O)c1
InChIInChI=1S/C16H20N2O/c1-3-18(14-7-5-8-15(19)10-14)11-13-6-4-9-16(17)12(13)2/h4-10,19H,3,11,17H2,1-2H3
InChIKeySSLNSHLPRTVYLI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.31
Rot. Bonds4

About 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol

3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol (PubChem CID 107733903) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol.

Molecular Properties

Compound Name3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol
PubChem CID107733903
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol
SMILESCCN(Cc1cccc(N)c1C)c1cccc(O)c1
InChIInChI=1S/C16H20N2O/c1-3-18(14-7-5-8-15(19)10-14)11-13-6-4-9-16(17)12(13)2/h4-10,19H,3,11,17H2,1-2H3
InChIKeySSLNSHLPRTVYLI-UHFFFAOYSA-N
XLogP3.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol 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-(2-aminophenyl)ethyl-ethylamino]phenol
CID 107733931
3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
CID 107733913
3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol
CID 107733916
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385
2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
CID 60980897
3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol
CID 99793276
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996
3-ethyl-2-methylaniline
CID 19879636
3-[(5-amino-1,3-benzoxazol-2-yl)methyl-ethylamino]phenol
CID 107733910

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol?
The IUPAC name of 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol (CID 107733903) is 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol.
What is the SMILES notation for 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol?
The canonical SMILES for 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol is CCN(Cc1cccc(N)c1C)c1cccc(O)c1.
What is the InChIKey of 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol?
The InChIKey is SSLNSHLPRTVYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-18(14-7-5-8-15(19)10-14)11-13-6-4-9-16(17)12(13)2/h4-10,19H,3,11,17H2,1-2H3.
What are the key properties of 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol?
3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol has a molecular weight of 256.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol is sourced from PubChem (CID 107733903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).