2-ethyl-6-methyl-N-(3-phenylpropyl)aniline

C18H23N — CID 39356754

IUPAC2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
SMILESCCc1cccc(C)c1NCCCc1ccccc1
InChIInChI=1S/C18H23N/c1-3-17-13-7-9-15(2)18(17)19-14-8-12-16-10-5-4-6-11-16/h4-7,9-11,13,19H,3,8,12,14H2,1-2H3
InChIKeyHBZNSKBCUWWMJM-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.60
Rot. Bonds6

About 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline

2-ethyl-6-methyl-N-(3-phenylpropyl)aniline (PubChem CID 39356754) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
PubChem CID39356754
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
SMILESCCc1cccc(C)c1NCCCc1ccccc1
InChIInChI=1S/C18H23N/c1-3-17-13-7-9-15(2)18(17)19-14-8-12-16-10-5-4-6-11-16/h4-7,9-11,13,19H,3,8,12,14H2,1-2H3
InChIKeyHBZNSKBCUWWMJM-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287079
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine
CID 54807025
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826773
1-(2-ethyl-6-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8559751
2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
CID 65485111
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
2-(2-ethyl-6-methylanilino)-1-phenylethanone
CID 94270514

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline?
The IUPAC name of 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline (CID 39356754) is 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline is CCc1cccc(C)c1NCCCc1ccccc1.
What is the InChIKey of 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline?
The InChIKey is HBZNSKBCUWWMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-17-13-7-9-15(2)18(17)19-14-8-12-16-10-5-4-6-11-16/h4-7,9-11,13,19H,3,8,12,14H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline?
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 39356754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).