2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol

C16H17Cl2NO — CID 82981087

IUPAC2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
SMILESCN(CCc1ccccc1)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H17Cl2NO/c1-19(8-7-12-5-3-2-4-6-12)11-13-9-14(17)10-15(18)16(13)20/h2-6,9-10,20H,7-8,11H2,1H3
InChIKeyXCWLKLWLVHMHNV-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.37
Rot. Bonds5

About 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol

2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol (PubChem CID 82981087) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
PubChem CID82981087
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
SMILESCN(CCc1ccccc1)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H17Cl2NO/c1-19(8-7-12-5-3-2-4-6-12)11-13-9-14(17)10-15(18)16(13)20/h2-6,9-10,20H,7-8,11H2,1H3
InChIKeyXCWLKLWLVHMHNV-UHFFFAOYSA-N
XLogP4.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
CID 82986125
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 139202506
[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid
CID 65488036
2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
CID 82974543
4-chloro-2-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 79582235
2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol
CID 29286269
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol
CID 112754699
2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65485068
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
2-[2-[benzyl(methyl)amino]ethyl]phenol
CID 70480829

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol (CID 82981087) is 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol is CN(CCc1ccccc1)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol?
The InChIKey is XCWLKLWLVHMHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-19(8-7-12-5-3-2-4-6-12)11-13-9-14(17)10-15(18)16(13)20/h2-6,9-10,20H,7-8,11H2,1H3.
What are the key properties of 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol?
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol has a molecular weight of 310.22 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol is sourced from PubChem (CID 82981087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).