2-chloro-4-[2-(ethylamino)ethyl]phenol

C10H14ClNO — CID 64868775

IUPAC2-chloro-4-[2-(ethylamino)ethyl]phenol
SMILESCCNCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-2-12-6-5-8-3-4-10(13)9(11)7-8/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyIOSJIIHJMXRKCY-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.20
Rot. Bonds4

About 2-chloro-4-[2-(ethylamino)ethyl]phenol

2-chloro-4-[2-(ethylamino)ethyl]phenol (PubChem CID 64868775) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-4-[2-(ethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-(ethylamino)ethyl]phenol
PubChem CID64868775
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-4-[2-(ethylamino)ethyl]phenol
SMILESCCNCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-2-12-6-5-8-3-4-10(13)9(11)7-8/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyIOSJIIHJMXRKCY-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.20
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

2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
CID 57252301
ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
CID 100965495
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
1-(3-chloro-4-hydroxyphenyl)pentan-3-one
CID 154645816
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
CID 145215034
2-[(3-chloro-4-hydroxyphenyl)methylamino]acetonitrile
CID 130620315
2-fluoro-4-[2-(propylamino)ethyl]phenol
CID 107693740
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
CID 113247970
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(ethylamino)ethyl]phenol?
The IUPAC name of 2-chloro-4-[2-(ethylamino)ethyl]phenol (CID 64868775) is 2-chloro-4-[2-(ethylamino)ethyl]phenol.
What is the SMILES notation for 2-chloro-4-[2-(ethylamino)ethyl]phenol?
The canonical SMILES for 2-chloro-4-[2-(ethylamino)ethyl]phenol is CCNCCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-(ethylamino)ethyl]phenol?
The InChIKey is IOSJIIHJMXRKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-12-6-5-8-3-4-10(13)9(11)7-8/h3-4,7,12-13H,2,5-6H2,1H3.
What are the key properties of 2-chloro-4-[2-(ethylamino)ethyl]phenol?
2-chloro-4-[2-(ethylamino)ethyl]phenol has a molecular weight of 199.68 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(ethylamino)ethyl]phenol is sourced from PubChem (CID 64868775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).