2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine

C17H20ClNO — CID 17208568

IUPAC2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1cccc(CNCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO/c1-2-20-17-5-3-4-15(12-17)13-19-11-10-14-6-8-16(18)9-7-14/h3-9,12,19H,2,10-11,13H2,1H3
InChIKeyGKUHAGBTGDCLGD-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.07
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 17208568) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
PubChem CID17208568
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1cccc(CNCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO/c1-2-20-17-5-3-4-15(12-17)13-19-11-10-14-6-8-16(18)9-7-14/h3-9,12,19H,2,10-11,13H2,1H3
InChIKeyGKUHAGBTGDCLGD-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 60615873
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N'-[(3-ethoxyphenyl)methyl]butane-1,4-diamine
CID 60895275
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207330
N-[(3-ethoxyphenyl)methyl]-2-ethylsulfonylethanamine
CID 60871815
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine (CID 17208568) is 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine is CCOc1cccc(CNCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is GKUHAGBTGDCLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-20-17-5-3-4-15(12-17)13-19-11-10-14-6-8-16(18)9-7-14/h3-9,12,19H,2,10-11,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 17208568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).