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

C14H22ClNO2 — CID 113389754

IUPAC1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
SMILESCCNC(C)c1ccc(OCC(O)CC)c(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-4-12(17)9-18-14-7-6-11(8-13(14)15)10(3)16-5-2/h6-8,10,12,16-17H,4-5,9H2,1-3H3
InChIKeyLQEPJARAMCEGRJ-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.16
Rot. Bonds7

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

1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol (PubChem CID 113389754) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
PubChem CID113389754
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
SMILESCCNC(C)c1ccc(OCC(O)CC)c(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-4-12(17)9-18-14-7-6-11(8-13(14)15)10(3)16-5-2/h6-8,10,12,16-17H,4-5,9H2,1-3H3
InChIKeyLQEPJARAMCEGRJ-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 62074920
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746
1-[3-chloro-4-(4,4,4-trifluorobutoxy)phenyl]-N-ethylethanamine
CID 82790108
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 60883043
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910
(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 31580914
1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
1-[4-(4-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63532281
1-[4-(2-bromophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533897

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol?
The IUPAC name of 1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol (CID 113389754) is 1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol.
What is the SMILES notation for 1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol?
The canonical SMILES for 1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol is CCNC(C)c1ccc(OCC(O)CC)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol?
The InChIKey is LQEPJARAMCEGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-12(17)9-18-14-7-6-11(8-13(14)15)10(3)16-5-2/h6-8,10,12,16-17H,4-5,9H2,1-3H3.
What are the key properties of 1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol?
1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol is sourced from PubChem (CID 113389754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).