N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine

C20H21NO2 — CID 143649592

IUPACN-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine
SMILESCOc1cc(CCNc2cccc3ccccc23)cc(OC)c1
InChIInChI=1S/C20H21NO2/c1-22-17-12-15(13-18(14-17)23-2)10-11-21-20-9-5-7-16-6-3-4-8-19(16)20/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeyXFHMWGWEKGNANK-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.51
Rot. Bonds6

About N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine

N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine (PubChem CID 143649592) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine
PubChem CID143649592
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine
SMILESCOc1cc(CCNc2cccc3ccccc23)cc(OC)c1
InChIInChI=1S/C20H21NO2/c1-22-17-12-15(13-18(14-17)23-2)10-11-21-20-9-5-7-16-6-3-4-8-19(16)20/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeyXFHMWGWEKGNANK-UHFFFAOYSA-N
XLogP4.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 107844867
2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54797935
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
CID 84552085
8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
5-[2-(3-methoxyphenyl)ethylamino]-2-propylisoquinolin-1-one
CID 90668094
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine (CID 143649592) is N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine is COc1cc(CCNc2cccc3ccccc23)cc(OC)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine?
The InChIKey is XFHMWGWEKGNANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-22-17-12-15(13-18(14-17)23-2)10-11-21-20-9-5-7-16-6-3-4-8-19(16)20/h3-9,12-14,21H,10-11H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine?
N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine has a molecular weight of 307.39 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine is sourced from PubChem (CID 143649592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).