3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol

C14H22ClNO2 — CID 115666232

IUPAC3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2/c1-2-16(9-3-11-17)10-4-12-18-14-7-5-13(15)6-8-14/h5-8,17H,2-4,9-12H2,1H3
InChIKeyJWAQBYZDBPTXBN-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.81
Rot. Bonds9

About 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol

3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol (PubChem CID 115666232) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
PubChem CID115666232
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2/c1-2-16(9-3-11-17)10-4-12-18-14-7-5-13(15)6-8-14/h5-8,17H,2-4,9-12H2,1H3
InChIKeyJWAQBYZDBPTXBN-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
3-[4-[N-(4-chlorophenyl)-4-(3-hydroxypropoxy)anilino]phenoxy]propan-1-ol
CID 59739465
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354
2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
2-[4-(4-chlorophenoxy)anilino]-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 66977684
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
CID 70878263
2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol
CID 60593016
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol (CID 115666232) is 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol is CCN(CCCO)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol?
The InChIKey is JWAQBYZDBPTXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-2-16(9-3-11-17)10-4-12-18-14-7-5-13(15)6-8-14/h5-8,17H,2-4,9-12H2,1H3.
What are the key properties of 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol?
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol is sourced from PubChem (CID 115666232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).