2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol

C16H18ClNO — CID 103940649

IUPAC2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
SMILESCc1cccc([C@@H](C)NCc2cccc(Cl)c2O)c1
InChIInChI=1S/C16H18ClNO/c1-11-5-3-6-13(9-11)12(2)18-10-14-7-4-8-15(17)16(14)19/h3-9,12,18-19H,10H2,1-2H3/t12-/m1/s1
InChIKeyPXLFSKWZRKEBBJ-GFCCVEGCSA-N
MW275.78 g/mol
LogP4.20
Rot. Bonds4

About 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol

2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol (PubChem CID 103940649) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
PubChem CID103940649
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
SMILESCc1cccc([C@@H](C)NCc2cccc(Cl)c2O)c1
InChIInChI=1S/C16H18ClNO/c1-11-5-3-6-13(9-11)12(2)18-10-14-7-4-8-15(17)16(14)19/h3-9,12,18-19H,10H2,1-2H3/t12-/m1/s1
InChIKeyPXLFSKWZRKEBBJ-GFCCVEGCSA-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'}

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Related Compounds

(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 104930243
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol
CID 61390650
4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
CID 81369235
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol (CID 103940649) is 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol is Cc1cccc([C@@H](C)NCc2cccc(Cl)c2O)c1.
What is the InChIKey of 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol?
The InChIKey is PXLFSKWZRKEBBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-5-3-6-13(9-11)12(2)18-10-14-7-4-8-15(17)16(14)19/h3-9,12,18-19H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol?
2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]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 2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 103940649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).