3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol

C16H18ClNO — CID 43202444

IUPAC3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc(Cl)cc1)c1cccc(O)c1
InChIInChI=1S/C16H18ClNO/c1-12(14-3-2-4-16(19)11-14)18-10-9-13-5-7-15(17)8-6-13/h2-8,11-12,18-19H,9-10H2,1H3
InChIKeyMLQOIUDLYXTBGN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.94
Rot. Bonds5

About 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol

3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol (PubChem CID 43202444) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
PubChem CID43202444
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc(Cl)cc1)c1cccc(O)c1
InChIInChI=1S/C16H18ClNO/c1-12(14-3-2-4-16(19)11-14)18-10-9-13-5-7-15(17)8-6-13/h2-8,11-12,18-19H,9-10H2,1H3
InChIKeyMLQOIUDLYXTBGN-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol
CID 61238201
3-[1-[(4-chloro-2-fluorophenyl)methylamino]ethyl]phenol
CID 114842006
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
CID 114183269
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43103247
1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
CID 141296655
3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 99842719
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
CID 43207421

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol (CID 43202444) is 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol is CC(NCCc1ccc(Cl)cc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol?
The InChIKey is MLQOIUDLYXTBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(14-3-2-4-16(19)11-14)18-10-9-13-5-7-15(17)8-6-13/h2-8,11-12,18-19H,9-10H2,1H3.
What are the key properties of 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol?
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol has a molecular weight of 275.78 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43202444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).