N-[1-(4-ethylphenyl)propyl]-2-methylaniline

C18H23N — CID 43309999

IUPACN-[1-(4-ethylphenyl)propyl]-2-methylaniline
SMILESCCc1ccc(C(CC)Nc2ccccc2C)cc1
InChIInChI=1S/C18H23N/c1-4-15-10-12-16(13-11-15)17(5-2)19-18-9-7-6-8-14(18)3/h6-13,17,19H,4-5H2,1-3H3
InChIKeyYBNWBMWCXXXGMG-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.12
Rot. Bonds5

About N-[1-(4-ethylphenyl)propyl]-2-methylaniline

N-[1-(4-ethylphenyl)propyl]-2-methylaniline (PubChem CID 43309999) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]-2-methylaniline
PubChem CID43309999
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[1-(4-ethylphenyl)propyl]-2-methylaniline
SMILESCCc1ccc(C(CC)Nc2ccccc2C)cc1
InChIInChI=1S/C18H23N/c1-4-15-10-12-16(13-11-15)17(5-2)19-18-9-7-6-8-14(18)3/h6-13,17,19H,4-5H2,1-3H3
InChIKeyYBNWBMWCXXXGMG-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
N-[1-(4-ethylphenyl)propyl]-2-methylpyridin-3-amine
CID 79041976
3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol
CID 43741658
2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43108740
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
5-bromo-N-[1-(4-ethylphenyl)propyl]-2,4-difluoroaniline
CID 102852685
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64649870
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]-2-methylaniline?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]-2-methylaniline (CID 43309999) is N-[1-(4-ethylphenyl)propyl]-2-methylaniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]-2-methylaniline?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]-2-methylaniline is CCc1ccc(C(CC)Nc2ccccc2C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]-2-methylaniline?
The InChIKey is YBNWBMWCXXXGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-15-10-12-16(13-11-15)17(5-2)19-18-9-7-6-8-14(18)3/h6-13,17,19H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)propyl]-2-methylaniline?
N-[1-(4-ethylphenyl)propyl]-2-methylaniline has a molecular weight of 253.39 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]-2-methylaniline is sourced from PubChem (CID 43309999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).