2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline

C22H25NO3 — CID 54856394

IUPAC2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
SMILESCOc1ccc(OC)c(NCC(C)c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C22H25NO3/c1-15(14-23-21-13-20(25-3)9-10-22(21)26-4)16-5-6-18-12-19(24-2)8-7-17(18)11-16/h5-13,15,23H,14H2,1-4H3
InChIKeyIXBDIERESHNGQM-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.08
Rot. Bonds7

About 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline

2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline (PubChem CID 54856394) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
PubChem CID54856394
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
SMILESCOc1ccc(OC)c(NCC(C)c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C22H25NO3/c1-15(14-23-21-13-20(25-3)9-10-22(21)26-4)16-5-6-18-12-19(24-2)8-7-17(18)11-16/h5-13,15,23H,14H2,1-4H3
InChIKeyIXBDIERESHNGQM-UHFFFAOYSA-N
XLogP5.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline 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

2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
CID 54856236
N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline
CID 54856285
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate
CID 170991435
5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
CID 43105776
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
CID 54435579
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline?
The IUPAC name of 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline (CID 54856394) is 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline?
The canonical SMILES for 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline is COc1ccc(OC)c(NCC(C)c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline?
The InChIKey is IXBDIERESHNGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15(14-23-21-13-20(25-3)9-10-22(21)26-4)16-5-6-18-12-19(24-2)8-7-17(18)11-16/h5-13,15,23H,14H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline?
2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline has a molecular weight of 351.45 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline is sourced from PubChem (CID 54856394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).