N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine

C19H22ClNO2 — CID 2213977

IUPACN-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(CNCc2ccccc2Cl)cc1OCC
InChIInChI=1S/C19H22ClNO2/c1-3-11-23-18-10-9-15(12-19(18)22-4-2)13-21-14-16-7-5-6-8-17(16)20/h3,5-10,12,21H,1,4,11,13-14H2,2H3
InChIKeyPSTZDFKKZLDUFO-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.59
Rot. Bonds9

About N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine

N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine (PubChem CID 2213977) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine
PubChem CID2213977
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(CNCc2ccccc2Cl)cc1OCC
InChIInChI=1S/C19H22ClNO2/c1-3-11-23-18-10-9-15(12-19(18)22-4-2)13-21-14-16-7-5-6-8-17(16)20/h3,5-10,12,21H,1,4,11,13-14H2,2H3
InChIKeyPSTZDFKKZLDUFO-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]butan-1-amine;hydrochloride
CID 2959787
N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215470
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6457782
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
CID 7991496
2-[3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propylamino]ethanol
CID 17214095
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290516
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295573
4-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]butanoic acid
CID 102536561
N',N'-dibutyl-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214631
N-[(2-chlorophenyl)methyl]-1-[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 17206323
N',N'-dibutyl-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214531
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526033

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine (CID 2213977) is N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine is C=CCOc1ccc(CNCc2ccccc2Cl)cc1OCC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine?
The InChIKey is PSTZDFKKZLDUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-3-11-23-18-10-9-15(12-19(18)22-4-2)13-21-14-16-7-5-6-8-17(16)20/h3,5-10,12,21H,1,4,11,13-14H2,2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine has a molecular weight of 331.84 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine is sourced from PubChem (CID 2213977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).