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

C14H22ClNO2 — CID 62074920

IUPAC1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
SMILESCCNC(C)c1cc(Cl)ccc1OCC(O)CC
InChIInChI=1S/C14H22ClNO2/c1-4-12(17)9-18-14-7-6-11(15)8-13(14)10(3)16-5-2/h6-8,10,12,16-17H,4-5,9H2,1-3H3
InChIKeyUTJZGHRRJLSZAF-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.16
Rot. Bonds7

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

1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol (PubChem CID 62074920) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
PubChem CID62074920
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
SMILESCCNC(C)c1cc(Cl)ccc1OCC(O)CC
InChIInChI=1S/C14H22ClNO2/c1-4-12(17)9-18-14-7-6-11(15)8-13(14)10(3)16-5-2/h6-8,10,12,16-17H,4-5,9H2,1-3H3
InChIKeyUTJZGHRRJLSZAF-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

3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 113389754
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide
CID 55132194
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 62074239
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700
N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 63500138

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol?
The IUPAC name of 1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol (CID 62074920) is 1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol.
What is the SMILES notation for 1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol?
The canonical SMILES for 1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol is CCNC(C)c1cc(Cl)ccc1OCC(O)CC.
What is the InChIKey of 1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol?
The InChIKey is UTJZGHRRJLSZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-12(17)9-18-14-7-6-11(15)8-13(14)10(3)16-5-2/h6-8,10,12,16-17H,4-5,9H2,1-3H3.
What are the key properties of 1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol?
1-[4-chloro-2-[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-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol is sourced from PubChem (CID 62074920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).