2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol

C15H15Cl2NO — CID 28664013

IUPAC2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
SMILESCc1cccc(CNCc2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H15Cl2NO/c1-10-3-2-4-11(5-10)8-18-9-12-6-13(16)7-14(17)15(12)19/h2-7,18-19H,8-9H2,1H3
InChIKeySJOWDIJCKQYIER-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.30
Rot. Bonds4

About 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol

2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol (PubChem CID 28664013) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
PubChem CID28664013
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
SMILESCc1cccc(CNCc2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H15Cl2NO/c1-10-3-2-4-11(5-10)8-18-9-12-6-13(16)7-14(17)15(12)19/h2-7,18-19H,8-9H2,1H3
InChIKeySJOWDIJCKQYIER-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.30
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

1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201
2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol
CID 29286269
2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
CID 103292059
2,4-dichloro-6-[[(3-methylthiophen-2-yl)methylamino]methyl]phenol
CID 78916524
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698958
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
3-[[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzonitrile
CID 104646106

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol (CID 28664013) is 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol is Cc1cccc(CNCc2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol?
The InChIKey is SJOWDIJCKQYIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10-3-2-4-11(5-10)8-18-9-12-6-13(16)7-14(17)15(12)19/h2-7,18-19H,8-9H2,1H3.
What are the key properties of 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol?
2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol has a molecular weight of 296.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 28664013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).