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

C17H20ClNO — CID 17208464

IUPAC2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccccc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-20-17-6-4-3-5-15(17)13-19-12-11-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyCQKOGMBDOQZKHV-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.07
Rot. Bonds7

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

2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine (PubChem CID 17208464) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
PubChem CID17208464
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccccc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-20-17-6-4-3-5-15(17)13-19-12-11-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyCQKOGMBDOQZKHV-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

N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
CID 171151385
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208783
2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66530676
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208510
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17212733
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
CID 30380870
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine (CID 17208464) is 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine is CCOc1ccccc1CNCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine?
The InChIKey is CQKOGMBDOQZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-20-17-6-4-3-5-15(17)13-19-12-11-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(2-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-[(2-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 17208464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).