3-ethyl-N-(3-methyl-1-phenylbutyl)aniline

C19H25N — CID 43102819

IUPAC3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
SMILESCCc1cccc(NC(CC(C)C)c2ccccc2)c1
InChIInChI=1S/C19H25N/c1-4-16-9-8-12-18(14-16)20-19(13-15(2)3)17-10-6-5-7-11-17/h5-12,14-15,19-20H,4,13H2,1-3H3
InChIKeyRSTRNFFVHSQOEP-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.45
Rot. Bonds6

About 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline

3-ethyl-N-(3-methyl-1-phenylbutyl)aniline (PubChem CID 43102819) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline.

Molecular Properties

Compound Name3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
PubChem CID43102819
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
SMILESCCc1cccc(NC(CC(C)C)c2ccccc2)c1
InChIInChI=1S/C19H25N/c1-4-16-9-8-12-18(14-16)20-19(13-15(2)3)17-10-6-5-7-11-17/h5-12,14-15,19-20H,4,13H2,1-3H3
InChIKeyRSTRNFFVHSQOEP-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824801
1-(3-ethylanilino)ethanol
CID 174601913
3-ethyl-N-(3-methylbutan-2-yl)aniline
CID 43196057
4-bromo-3-chloro-N-(3-methyl-1-phenylbutyl)aniline
CID 107618717
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
3-ethyl-N-pentan-2-ylaniline
CID 43102191
3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43099352
1-N,1-diphenylbutane-1,3-diamine
CID 542026
N-[4-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824761
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline?
The IUPAC name of 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline (CID 43102819) is 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline.
What is the SMILES notation for 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline?
The canonical SMILES for 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline is CCc1cccc(NC(CC(C)C)c2ccccc2)c1.
What is the InChIKey of 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline?
The InChIKey is RSTRNFFVHSQOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-16-9-8-12-18(14-16)20-19(13-15(2)3)17-10-6-5-7-11-17/h5-12,14-15,19-20H,4,13H2,1-3H3.
What are the key properties of 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline?
3-ethyl-N-(3-methyl-1-phenylbutyl)aniline has a molecular weight of 267.42 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methyl-1-phenylbutyl)aniline is sourced from PubChem (CID 43102819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).