1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol

C8H18ClNO2 — CID 59110283

IUPAC1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol
SMILESCCN(CCCO)CC(O)CCl
InChIInChI=1S/C8H18ClNO2/c1-2-10(4-3-5-11)7-8(12)6-9/h8,11-12H,2-7H2,1H3
InChIKeyDNNCJVKBIGGAPR-UHFFFAOYSA-N
MW195.69 g/mol
LogP0.29
Rot. Bonds7

About 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol

1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol (PubChem CID 59110283) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol
PubChem CID59110283
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol
SMILESCCN(CCCO)CC(O)CCl
InChIInChI=1S/C8H18ClNO2/c1-2-10(4-3-5-11)7-8(12)6-9/h8,11-12H,2-7H2,1H3
InChIKeyDNNCJVKBIGGAPR-UHFFFAOYSA-N
XLogP0.29
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol 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

1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 115666449
3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
8-(diethylamino)octane-1,7-diol
CID 19030812
(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
CID 106932732
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796
3-[bis(3-chloro-2-hydroxypropyl)amino]butan-1-ol
CID 142057138
1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
CID 102995834
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol (CID 59110283) is 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol is CCN(CCCO)CC(O)CCl.
What is the InChIKey of 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol?
The InChIKey is DNNCJVKBIGGAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2/c1-2-10(4-3-5-11)7-8(12)6-9/h8,11-12H,2-7H2,1H3.
What are the key properties of 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol?
1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol has a molecular weight of 195.69 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 59110283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).