N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline

C22H25NO — CID 54856285

IUPACN-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline
SMILESCOc1ccc2cc(C(C)CNc3ccc(C)cc3C)ccc2c1
InChIInChI=1S/C22H25NO/c1-15-5-10-22(16(2)11-15)23-14-17(3)18-6-7-20-13-21(24-4)9-8-19(20)12-18/h5-13,17,23H,14H2,1-4H3
InChIKeyMIMYUXPLMXDYSS-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.68
Rot. Bonds5

About N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline

N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline (PubChem CID 54856285) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline
PubChem CID54856285
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline
SMILESCOc1ccc2cc(C(C)CNc3ccc(C)cc3C)ccc2c1
InChIInChI=1S/C22H25NO/c1-15-5-10-22(16(2)11-15)23-14-17(3)18-6-7-20-13-21(24-4)9-8-19(20)12-18/h5-13,17,23H,14H2,1-4H3
InChIKeyMIMYUXPLMXDYSS-UHFFFAOYSA-N
XLogP5.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
CID 54856394
2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
CID 54856236
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate
CID 170991435
N-(2,4-dimethylphenyl)-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-3-nitrobenzenesulfonamide
CID 55680961
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60903681
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline?
The IUPAC name of N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline (CID 54856285) is N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline?
The canonical SMILES for N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline is COc1ccc2cc(C(C)CNc3ccc(C)cc3C)ccc2c1.
What is the InChIKey of N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline?
The InChIKey is MIMYUXPLMXDYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-15-5-10-22(16(2)11-15)23-14-17(3)18-6-7-20-13-21(24-4)9-8-19(20)12-18/h5-13,17,23H,14H2,1-4H3.
What are the key properties of N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline?
N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline has a molecular weight of 319.45 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline is sourced from PubChem (CID 54856285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).