1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine

C16H18ClNO — CID 43285575

IUPAC1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO/c1-3-18-12(2)13-7-9-15(10-8-13)19-16-6-4-5-14(17)11-16/h4-12,18H,3H2,1-2H3
InChIKeyISQLPFPHMHNHEW-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.80
Rot. Bonds5

About 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine

1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine (PubChem CID 43285575) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
PubChem CID43285575
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO/c1-3-18-12(2)13-7-9-15(10-8-13)19-16-6-4-5-14(17)11-16/h4-12,18H,3H2,1-2H3
InChIKeyISQLPFPHMHNHEW-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388
1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 79170877
1-[3-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 79167858
1-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 60881758
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625
1-[4-(4-bromo-2-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285711
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine (CID 43285575) is 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine?
The InChIKey is ISQLPFPHMHNHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-18-12(2)13-7-9-15(10-8-13)19-16-6-4-5-14(17)11-16/h4-12,18H,3H2,1-2H3.
What are the key properties of 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine?
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 43285575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).