2-[2-chloroethyl(propyl)amino]ethanol

C7H16ClNO — CID 61425253

IUPAC2-[2-chloroethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCl
InChIInChI=1S/C7H16ClNO/c1-2-4-9(5-3-8)6-7-10/h10H,2-7H2,1H3
InChIKeyLGXGCWOLVIQVAS-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.93
Rot. Bonds6

About 2-[2-chloroethyl(propyl)amino]ethanol

2-[2-chloroethyl(propyl)amino]ethanol (PubChem CID 61425253) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 2-[2-chloroethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-chloroethyl(propyl)amino]ethanol
PubChem CID61425253
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name2-[2-chloroethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCl
InChIInChI=1S/C7H16ClNO/c1-2-4-9(5-3-8)6-7-10/h10H,2-7H2,1H3
InChIKeyLGXGCWOLVIQVAS-UHFFFAOYSA-N
XLogP0.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-chloroethyl(propyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-chloroethyl(ethyl)amino]ethanol;hydrochloride
CID 24837985
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
CID 173448711
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
N-(2-chloroethyl)-N-propyloctan-1-amine
CID 63387003
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072
2-[3-fluoropropyl(propyl)amino]ethanol
CID 81113201
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroethyl(propyl)amino]ethanol?
The IUPAC name of 2-[2-chloroethyl(propyl)amino]ethanol (CID 61425253) is 2-[2-chloroethyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[2-chloroethyl(propyl)amino]ethanol?
The canonical SMILES for 2-[2-chloroethyl(propyl)amino]ethanol is CCCN(CCO)CCCl.
What is the InChIKey of 2-[2-chloroethyl(propyl)amino]ethanol?
The InChIKey is LGXGCWOLVIQVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO/c1-2-4-9(5-3-8)6-7-10/h10H,2-7H2,1H3.
What are the key properties of 2-[2-chloroethyl(propyl)amino]ethanol?
2-[2-chloroethyl(propyl)amino]ethanol has a molecular weight of 165.66 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroethyl(propyl)amino]ethanol is sourced from PubChem (CID 61425253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).