3-chloroaniline;2-(methylamino)ethanol

C9H15ClN2O — CID 69482377

IUPAC3-chloroaniline;2-(methylamino)ethanol
SMILESCNCCO.Nc1cccc(Cl)c1
InChIInChI=1S/C6H6ClN.C3H9NO/c7-5-2-1-3-6(8)4-5;1-4-2-3-5/h1-4H,8H2;4-5H,2-3H2,1H3
InChIKeyYNOTZXRAPCUKKG-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.12
Rot. Bonds2

About 3-chloroaniline;2-(methylamino)ethanol

3-chloroaniline;2-(methylamino)ethanol (PubChem CID 69482377) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 3-chloroaniline;2-(methylamino)ethanol.

Molecular Properties

Compound Name3-chloroaniline;2-(methylamino)ethanol
PubChem CID69482377
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name3-chloroaniline;2-(methylamino)ethanol
SMILESCNCCO.Nc1cccc(Cl)c1
InChIInChI=1S/C6H6ClN.C3H9NO/c7-5-2-1-3-6(8)4-5;1-4-2-3-5/h1-4H,8H2;4-5H,2-3H2,1H3
InChIKeyYNOTZXRAPCUKKG-UHFFFAOYSA-N
XLogP1.12
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-2-(3-chlorophenyl)anilino]ethanol
CID 18371420
butanoic acid;3-chloroaniline
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3-(3-chlorophenyl)-N-methylbut-3-en-1-amine
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3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 105475062
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
1,3-dichlorobenzene;guanidine
CID 174959611
3-chloroaniline;2-methyl-1-piperazin-1-ylpropan-2-amine
CID 174466047
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
1-(3-chlorophenyl)-1-[3-(methylamino)propylamino]propan-2-one
CID 142270738

Frequently Asked Questions

What is the IUPAC name of 3-chloroaniline;2-(methylamino)ethanol?
The IUPAC name of 3-chloroaniline;2-(methylamino)ethanol (CID 69482377) is 3-chloroaniline;2-(methylamino)ethanol.
What is the SMILES notation for 3-chloroaniline;2-(methylamino)ethanol?
The canonical SMILES for 3-chloroaniline;2-(methylamino)ethanol is CNCCO.Nc1cccc(Cl)c1.
What is the InChIKey of 3-chloroaniline;2-(methylamino)ethanol?
The InChIKey is YNOTZXRAPCUKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.C3H9NO/c7-5-2-1-3-6(8)4-5;1-4-2-3-5/h1-4H,8H2;4-5H,2-3H2,1H3.
What are the key properties of 3-chloroaniline;2-(methylamino)ethanol?
3-chloroaniline;2-(methylamino)ethanol has a molecular weight of 202.69 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroaniline;2-(methylamino)ethanol is sourced from PubChem (CID 69482377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).