2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol

C16H17Cl2NO2 — CID 81367252

IUPAC2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
SMILESCOc1ccc([C@@H](C)NCc2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C16H17Cl2NO2/c1-10(11-3-5-14(21-2)6-4-11)19-9-12-7-13(17)8-15(18)16(12)20/h3-8,10,19-20H,9H2,1-2H3/t10-/m1/s1
InChIKeyKJFMQDQBSAIULW-SNVBAGLBSA-N
MW326.22 g/mol
LogP4.56
Rot. Bonds5

About 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol

2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol (PubChem CID 81367252) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
PubChem CID81367252
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
SMILESCOc1ccc([C@@H](C)NCc2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C16H17Cl2NO2/c1-10(11-3-5-14(21-2)6-4-11)19-9-12-7-13(17)8-15(18)16(12)20/h3-8,10,19-20H,9H2,1-2H3/t10-/m1/s1
InChIKeyKJFMQDQBSAIULW-SNVBAGLBSA-N
XLogP4.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-4,6-dichlorophenol
CID 81359211
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
2,4-dichloro-6-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
CID 103854969
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
3-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81370718
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol (CID 81367252) is 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol is COc1ccc([C@@H](C)NCc2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol?
The InChIKey is KJFMQDQBSAIULW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-10(11-3-5-14(21-2)6-4-11)19-9-12-7-13(17)8-15(18)16(12)20/h3-8,10,19-20H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol?
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol has a molecular weight of 326.22 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 81367252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).