1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol

C10H14ClNO — CID 83699915

IUPAC1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7-3-4-8(9(11)5-7)10(13)6-12-2/h3-5,10,12-13H,6H2,1-2H3
InChIKeySECKOICJLNWYHS-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol

1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol (PubChem CID 83699915) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
PubChem CID83699915
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7-3-4-8(9(11)5-7)10(13)6-12-2/h3-5,10,12-13H,6H2,1-2H3
InChIKeySECKOICJLNWYHS-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699082
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol
CID 117108211
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)but-3-yn-1-ol
CID 106859596
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457
1-(2-chloro-4-methylphenyl)-3-methylhexan-1-ol
CID 106859160
(2-chloro-4-methylphenyl)-cyclopropylmethanol
CID 58392529
1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312550
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol (CID 83699915) is 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol is CNCC(O)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is SECKOICJLNWYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-3-4-8(9(11)5-7)10(13)6-12-2/h3-5,10,12-13H,6H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol?
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol has a molecular weight of 199.68 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 83699915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).