5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline

C30H30ClNO2 — CID 126127689

IUPAC5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline
SMILESC=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1cccc2ccccc12
InChIInChI=1S/C30H30ClNO2/c1-4-9-24-16-22(19-32-28-18-26(31)15-14-21(28)3)17-29(33-5-2)30(24)34-20-25-12-8-11-23-10-6-7-13-27(23)25/h4,6-8,10-18,32H,1,5,9,19-20H2,2-3H3
InChIKeyZHGQOPQNSLHNNE-UHFFFAOYSA-N
MW472.03 g/mol
LogP8.12
Rot. Bonds10

About 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline

5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline (PubChem CID 126127689) has the molecular formula C30H30ClNO2 and a molecular weight of 472.03 g/mol. Its IUPAC name is 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline
PubChem CID126127689
Molecular FormulaC30H30ClNO2
Molecular Weight472.03 g/mol
Exact Mass471.20
IUPAC Name5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline
SMILESC=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1cccc2ccccc12
InChIInChI=1S/C30H30ClNO2/c1-4-9-24-16-22(19-32-28-18-26(31)15-14-21(28)3)17-29(33-5-2)30(24)34-20-25-12-8-11-23-10-6-7-13-27(23)25/h4,6-8,10-18,32H,1,5,9,19-20H2,2-3H3
InChIKeyZHGQOPQNSLHNNE-UHFFFAOYSA-N
XLogP8.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.03
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline 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

5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126122245
5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126115586
N-[(3,4-diethoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126116662
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126122526
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-3-methylaniline
CID 126115921
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-4-ethoxyaniline
CID 126124704
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126127366
[4-[(2,5-dimethylanilino)methyl]-2-ethoxy-6-prop-2-enylphenyl] 4-chlorobenzenesulfonate
CID 126128165
N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-4-ethoxyaniline
CID 126119435
5-chloro-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126121963
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline (CID 126127689) is 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline is C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1cccc2ccccc12.
What is the InChIKey of 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline?
The InChIKey is ZHGQOPQNSLHNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClNO2/c1-4-9-24-16-22(19-32-28-18-26(31)15-14-21(28)3)17-29(33-5-2)30(24)34-20-25-12-8-11-23-10-6-7-13-27(23)25/h4,6-8,10-18,32H,1,5,9,19-20H2,2-3H3.
What are the key properties of 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline?
5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline has a molecular weight of 472.03 g/mol, XLogP of 8.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126127689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).