5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol

C17H21NO2 — CID 107706906

IUPAC5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol
SMILESCc1ccccc1[C@@H](C)NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C17H21NO2/c1-11-6-4-5-7-17(11)13(3)18-12(2)14-8-15(19)10-16(20)9-14/h4-10,12-13,18-20H,1-3H3/t12?,13-/m1/s1
InChIKeyZGMIYTPGDAIQCR-ZGTCLIOFSA-N
MW271.36 g/mol
LogP3.82
Rot. Bonds4

About 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol

5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol (PubChem CID 107706906) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol
PubChem CID107706906
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol
SMILESCc1ccccc1[C@@H](C)NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C17H21NO2/c1-11-6-4-5-7-17(11)13(3)18-12(2)14-8-15(19)10-16(20)9-14/h4-10,12-13,18-20H,1-3H3/t12?,13-/m1/s1
InChIKeyZGMIYTPGDAIQCR-ZGTCLIOFSA-N
XLogP3.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol 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

1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81373534
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 97246942
1-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81355040
5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706398
1-(4-fluoro-3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 83059000
(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol (CID 107706906) is 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol is Cc1ccccc1[C@@H](C)NC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol?
The InChIKey is ZGMIYTPGDAIQCR-ZGTCLIOFSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-6-4-5-7-17(11)13(3)18-12(2)14-8-15(19)10-16(20)9-14/h4-10,12-13,18-20H,1-3H3/t12?,13-/m1/s1.
What are the key properties of 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol?
5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol has a molecular weight of 271.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).