3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol

C13H20ClNO2 — CID 62073207

IUPAC3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
SMILESCCNC(C)c1cc(Cl)ccc1OCCCO
InChIInChI=1S/C13H20ClNO2/c1-3-15-10(2)12-9-11(14)5-6-13(12)17-8-4-7-16/h5-6,9-10,15-16H,3-4,7-8H2,1-2H3
InChIKeyUGLRKALXJOOOMJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.77
Rot. Bonds7

About 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol

3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol (PubChem CID 62073207) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
PubChem CID62073207
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
SMILESCCNC(C)c1cc(Cl)ccc1OCCCO
InChIInChI=1S/C13H20ClNO2/c1-3-15-10(2)12-9-11(14)5-6-13(12)17-8-4-7-16/h5-6,9-10,15-16H,3-4,7-8H2,1-2H3
InChIKeyUGLRKALXJOOOMJ-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 62074920
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205
6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
CID 107702669
5-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]pentan-1-ol
CID 55189555
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304
1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 102999720
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol?
The IUPAC name of 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol (CID 62073207) is 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol is CCNC(C)c1cc(Cl)ccc1OCCCO.
What is the InChIKey of 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol?
The InChIKey is UGLRKALXJOOOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-15-10(2)12-9-11(14)5-6-13(12)17-8-4-7-16/h5-6,9-10,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol?
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol is sourced from PubChem (CID 62073207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).