1-(3-chloro-N,4-dimethylanilino)ethanol

C10H14ClNO — CID 70441913

IUPAC1-(3-chloro-N,4-dimethylanilino)ethanol
SMILESCc1ccc(N(C)C(C)O)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7-4-5-9(6-10(7)11)12(3)8(2)13/h4-6,8,13H,1-3H3
InChIKeyXTSBBQDFMXLBBW-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.42
Rot. Bonds2

About 1-(3-chloro-N,4-dimethylanilino)ethanol

1-(3-chloro-N,4-dimethylanilino)ethanol (PubChem CID 70441913) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(3-chloro-N,4-dimethylanilino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-N,4-dimethylanilino)ethanol
PubChem CID70441913
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(3-chloro-N,4-dimethylanilino)ethanol
SMILESCc1ccc(N(C)C(C)O)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7-4-5-9(6-10(7)11)12(3)8(2)13/h4-6,8,13H,1-3H3
InChIKeyXTSBBQDFMXLBBW-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-N,4-dimethylanilino)propanoic acid
CID 133150351
3-chloro-N,N,4-trimethylaniline
CID 12637287
(3-chloro-4-methylphenyl)-methylcyanamide
CID 117029380
4-(3-chloro-N,4-dimethylanilino)benzoic acid
CID 150399122
N,3,4-trimethyl-N-propan-2-ylaniline
CID 117043839
N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772652
2-methyl-5-[methyl(propan-2-yl)amino]phenol
CID 142192144
2-(3-chloro-N,4-dimethylanilino)acetonitrile
CID 82112115
2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
CID 50946272
3-(N-acetyl-3-chloro-4-methylanilino)-2-methylpropanoic acid
CID 82320541
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
methyl 2-[(3-chloro-4-methylbenzoyl)-methylamino]acetate
CID 63194919

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-N,4-dimethylanilino)ethanol?
The IUPAC name of 1-(3-chloro-N,4-dimethylanilino)ethanol (CID 70441913) is 1-(3-chloro-N,4-dimethylanilino)ethanol.
What is the SMILES notation for 1-(3-chloro-N,4-dimethylanilino)ethanol?
The canonical SMILES for 1-(3-chloro-N,4-dimethylanilino)ethanol is Cc1ccc(N(C)C(C)O)cc1Cl.
What is the InChIKey of 1-(3-chloro-N,4-dimethylanilino)ethanol?
The InChIKey is XTSBBQDFMXLBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-4-5-9(6-10(7)11)12(3)8(2)13/h4-6,8,13H,1-3H3.
What are the key properties of 1-(3-chloro-N,4-dimethylanilino)ethanol?
1-(3-chloro-N,4-dimethylanilino)ethanol has a molecular weight of 199.68 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-N,4-dimethylanilino)ethanol is sourced from PubChem (CID 70441913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).