ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine

C23H31N — CID 91388045

IUPACethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine
SMILESCC.CC.CCc1ccc2ccccc2c1Nc1ccc(C)cc1
InChIInChI=1S/C19H19N.2C2H6/c1-3-15-10-11-16-6-4-5-7-18(16)19(15)20-17-12-8-14(2)9-13-17;2*1-2/h4-13,20H,3H2,1-2H3;2*1-2H3
InChIKeySDNONRYOXOKPFV-UHFFFAOYSA-N
MW321.51 g/mol
LogP7.51
Rot. Bonds3

About ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine

ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine (PubChem CID 91388045) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Nameethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine
PubChem CID91388045
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Nameethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine
SMILESCC.CC.CCc1ccc2ccccc2c1Nc1ccc(C)cc1
InChIInChI=1S/C19H19N.2C2H6/c1-3-15-10-11-16-6-4-5-7-18(16)19(15)20-17-12-8-14(2)9-13-17;2*1-2/h4-13,20H,3H2,1-2H3;2*1-2H3
InChIKeySDNONRYOXOKPFV-UHFFFAOYSA-N
XLogP7.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylanilino)naphthalene-1-carbaldehyde
CID 135023632
4-methyl-N-(4-methylphenyl)aniline;naphthalene
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CID 71380230
N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 22401591
2,6-diethyl-N-phenylaniline
CID 45095580
2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 101498779
3-N-(2,6-diethylphenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962170
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013
N-(4-methylphenyl)isoquinolin-1-amine
CID 3248179
N-phenyl-2-(2,4,6-trimethylnonyl)naphthalen-1-amine
CID 129278918
CID 173411630
CID 173411630

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine?
The IUPAC name of ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine (CID 91388045) is ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine?
The canonical SMILES for ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine is CC.CC.CCc1ccc2ccccc2c1Nc1ccc(C)cc1.
What is the InChIKey of ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine?
The InChIKey is SDNONRYOXOKPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N.2C2H6/c1-3-15-10-11-16-6-4-5-7-18(16)19(15)20-17-12-8-14(2)9-13-17;2*1-2/h4-13,20H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine?
ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine has a molecular weight of 321.51 g/mol, XLogP of 7.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 91388045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).