2-[3-(2-chlorophenyl)propylamino]ethanol

C11H16ClNO — CID 70464320

IUPAC2-[3-(2-chlorophenyl)propylamino]ethanol
SMILESOCCNCCCc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c12-11-6-2-1-4-10(11)5-3-7-13-8-9-14/h1-2,4,6,13-14H,3,5,7-9H2
InChIKeyNNRLEGBTONNAIV-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.85
Rot. Bonds6

About 2-[3-(2-chlorophenyl)propylamino]ethanol

2-[3-(2-chlorophenyl)propylamino]ethanol (PubChem CID 70464320) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propylamino]ethanol
PubChem CID70464320
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-[3-(2-chlorophenyl)propylamino]ethanol
SMILESOCCNCCCc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c12-11-6-2-1-4-10(11)5-3-7-13-8-9-14/h1-2,4,6,13-14H,3,5,7-9H2
InChIKeyNNRLEGBTONNAIV-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
CID 24840689
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
2-(3-phenylpropylamino)ethanol
CID 19012091
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
3-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 22660905
2-[3-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214037
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one
CID 141339787
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
3-[3-[4-[3-(2-chlorophenyl)propoxy]phenyl]propylamino]propanoic acid
CID 23121519

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propylamino]ethanol?
The IUPAC name of 2-[3-(2-chlorophenyl)propylamino]ethanol (CID 70464320) is 2-[3-(2-chlorophenyl)propylamino]ethanol.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propylamino]ethanol?
The canonical SMILES for 2-[3-(2-chlorophenyl)propylamino]ethanol is OCCNCCCc1ccccc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)propylamino]ethanol?
The InChIKey is NNRLEGBTONNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c12-11-6-2-1-4-10(11)5-3-7-13-8-9-14/h1-2,4,6,13-14H,3,5,7-9H2.
What are the key properties of 2-[3-(2-chlorophenyl)propylamino]ethanol?
2-[3-(2-chlorophenyl)propylamino]ethanol has a molecular weight of 213.71 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propylamino]ethanol is sourced from PubChem (CID 70464320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).