4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol

C16H18ClNO — CID 43203245

IUPAC4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol
SMILESCc1ccccc1C(C)NCc1cc(Cl)ccc1O
InChIInChI=1S/C16H18ClNO/c1-11-5-3-4-6-15(11)12(2)18-10-13-9-14(17)7-8-16(13)19/h3-9,12,18-19H,10H2,1-2H3
InChIKeyUISDJOXDDKIERW-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.20
Rot. Bonds4

About 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol

4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol (PubChem CID 43203245) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol
PubChem CID43203245
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol
SMILESCc1ccccc1C(C)NCc1cc(Cl)ccc1O
InChIInChI=1S/C16H18ClNO/c1-11-5-3-4-6-15(11)12(2)18-10-13-9-14(17)7-8-16(13)19/h3-9,12,18-19H,10H2,1-2H3
InChIKeyUISDJOXDDKIERW-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]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

(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999
4-[[1-(2-methylphenyl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953068
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81364114
N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 62101267
3-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959248
4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103578117
2-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-4-chlorophenol
CID 78921856
2-bromo-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 81375588
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 81380179
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol (CID 43203245) is 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol is Cc1ccccc1C(C)NCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol?
The InChIKey is UISDJOXDDKIERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-5-3-4-6-15(11)12(2)18-10-13-9-14(17)7-8-16(13)19/h3-9,12,18-19H,10H2,1-2H3.
What are the key properties of 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol?
4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol has a molecular weight of 275.78 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 43203245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).