1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol

C17H20ClNO — CID 71497976

IUPAC1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
SMILESCc1cccc(CN(C)CC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO/c1-13-5-3-6-14(9-13)11-19(2)12-17(20)15-7-4-8-16(18)10-15/h3-10,17,20H,11-12H2,1-2H3
InChIKeyXDQPTSZONODHKI-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.81
Rot. Bonds5

About 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol

1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol (PubChem CID 71497976) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
PubChem CID71497976
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
SMILESCc1cccc(CN(C)CC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO/c1-13-5-3-6-14(9-13)11-19(2)12-17(20)15-7-4-8-16(18)10-15/h3-10,17,20H,11-12H2,1-2H3
InChIKeyXDQPTSZONODHKI-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol
CID 111825465
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol
CID 111487359
(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol
CID 28635005
3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425
2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
4-[(3-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82776807
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
4-hydroxy-5-[methyl-[(3-methylphenyl)methyl]amino]pentanoic acid
CID 115122741

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol (CID 71497976) is 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol is Cc1cccc(CN(C)CC(O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol?
The InChIKey is XDQPTSZONODHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-5-3-6-14(9-13)11-19(2)12-17(20)15-7-4-8-16(18)10-15/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol?
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol has a molecular weight of 289.81 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 71497976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).