1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine

C17H20ClNO — CID 43285011

IUPAC1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-3-19-13(2)14-8-10-16(11-9-14)20-12-15-6-4-5-7-17(15)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyIVZHJICTFZXFOL-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.59
Rot. Bonds6

About 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine

1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine (PubChem CID 43285011) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
PubChem CID43285011
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-3-19-13(2)14-8-10-16(11-9-14)20-12-15-6-4-5-7-17(15)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyIVZHJICTFZXFOL-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine
CID 63500455
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625
1-[4-[(2-chlorophenyl)methoxy]phenyl]ethanamine
CID 43189009
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717043
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305773
4-[(2-chlorophenyl)methoxy]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 132763399
N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 132666759
N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505631
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
CID 63487243

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine (CID 43285011) is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine?
The InChIKey is IVZHJICTFZXFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-19-13(2)14-8-10-16(11-9-14)20-12-15-6-4-5-7-17(15)18/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine?
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine is sourced from PubChem (CID 43285011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).