N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline

C28H29NO2 — CID 126118437

IUPACN-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
SMILESCCOc1cc(CNc2cccc(C)c2C)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C28H29NO2/c1-4-30-28-17-22(18-29-26-14-7-9-20(2)21(26)3)15-16-27(28)31-19-24-12-8-11-23-10-5-6-13-25(23)24/h5-17,29H,4,18-19H2,1-3H3
InChIKeyKFYNYWXODJVAKN-UHFFFAOYSA-N
MW411.55 g/mol
LogP7.05
Rot. Bonds8

About N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline

N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline (PubChem CID 126118437) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
PubChem CID126118437
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC NameN-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
SMILESCCOc1cc(CNc2cccc(C)c2C)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C28H29NO2/c1-4-30-28-17-22(18-29-26-14-7-9-20(2)21(26)3)15-16-27(28)31-19-24-12-8-11-23-10-5-6-13-25(23)24/h5-17,29H,4,18-19H2,1-3H3
InChIKeyKFYNYWXODJVAKN-UHFFFAOYSA-N
XLogP7.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline
CID 126125649
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline
CID 126202804
N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126126160
N-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126123853
3-chloro-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118405
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,3-dimethylaniline
CID 126127933
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126116219
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
CID 126125999
N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126125357
2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126259568

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
The IUPAC name of N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline (CID 126118437) is N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline is CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1cccc2ccccc12.
What is the InChIKey of N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
The InChIKey is KFYNYWXODJVAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO2/c1-4-30-28-17-22(18-29-26-14-7-9-20(2)21(26)3)15-16-27(28)31-19-24-12-8-11-23-10-5-6-13-25(23)24/h5-17,29H,4,18-19H2,1-3H3.
What are the key properties of N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline has a molecular weight of 411.55 g/mol, XLogP of 7.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline is sourced from PubChem (CID 126118437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).