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

C20H21N — CID 43110204

IUPACN-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine
SMILESCc1ccc(C)c(C(C)Nc2cccc3ccccc23)c1
InChIInChI=1S/C20H21N/c1-14-11-12-15(2)19(13-14)16(3)21-20-10-6-8-17-7-4-5-9-18(17)20/h4-13,16,21H,1-3H3
InChIKeyFSJMNLXJQNAYMG-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.63
Rot. Bonds3

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

N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine (PubChem CID 43110204) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine
PubChem CID43110204
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine
SMILESCc1ccc(C)c(C(C)Nc2cccc3ccccc23)c1
InChIInChI=1S/C20H21N/c1-14-11-12-15(2)19(13-14)16(3)21-20-10-6-8-17-7-4-5-9-18(17)20/h4-13,16,21H,1-3H3
InChIKeyFSJMNLXJQNAYMG-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681276
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
2-[2-[1-(2,5-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738423
N-[1-(2-bromophenyl)ethyl]naphthalen-1-amine
CID 43111727
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
2-[1-(2,5-dimethylanilino)ethyl]phenol
CID 43196548
N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
CID 43108042
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 28632313
1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride
CID 174599012
N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
CID 43672059

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine (CID 43110204) is N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine is Cc1ccc(C)c(C(C)Nc2cccc3ccccc23)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine?
The InChIKey is FSJMNLXJQNAYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-14-11-12-15(2)19(13-14)16(3)21-20-10-6-8-17-7-4-5-9-18(17)20/h4-13,16,21H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine?
N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine has a molecular weight of 275.39 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine is sourced from PubChem (CID 43110204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).