4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol

C17H20ClNO — CID 142139142

IUPAC4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol
SMILESCCN(Cc1ccc(Cl)cc1)Cc1ccc(O)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-3-19(11-14-4-7-16(18)8-5-14)12-15-6-9-17(20)13(2)10-15/h4-10,20H,3,11-12H2,1-2H3
InChIKeyCXBXLTTZOYPZAS-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.38
Rot. Bonds5

About 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol

4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol (PubChem CID 142139142) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol
PubChem CID142139142
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol
SMILESCCN(Cc1ccc(Cl)cc1)Cc1ccc(O)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-3-19(11-14-4-7-16(18)8-5-14)12-15-6-9-17(20)13(2)10-15/h4-10,20H,3,11-12H2,1-2H3
InChIKeyCXBXLTTZOYPZAS-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
CID 142099028
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78962077
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid
CID 65063229
4-(diethylaminomethyl)-2,6-dimethylphenol
CID 15576438
4-butyl-2-methylphenol
CID 10964856
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
N-[(4-chlorophenyl)methyl]-N-[(1,4,5-trimethylphosphol-2-yl)methyl]ethanamine;1-methylpiperidine
CID 142139202
N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline
CID 43435845
4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol
CID 107694004
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol?
The IUPAC name of 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol (CID 142139142) is 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol.
What is the SMILES notation for 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol?
The canonical SMILES for 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol is CCN(Cc1ccc(Cl)cc1)Cc1ccc(O)c(C)c1.
What is the InChIKey of 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol?
The InChIKey is CXBXLTTZOYPZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-19(11-14-4-7-16(18)8-5-14)12-15-6-9-17(20)13(2)10-15/h4-10,20H,3,11-12H2,1-2H3.
What are the key properties of 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol?
4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol has a molecular weight of 289.81 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol is sourced from PubChem (CID 142139142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).