4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline

C20H27N — CID 43093915

IUPAC4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline
SMILESCCCCc1ccc(NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H27N/c1-5-6-7-18-9-12-20(13-10-18)21-17(4)19-11-8-15(2)16(3)14-19/h8-14,17,21H,5-7H2,1-4H3
InChIKeyFUXYWIXYKDNYSL-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.82
Rot. Bonds6

About 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline

4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline (PubChem CID 43093915) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline
PubChem CID43093915
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline
SMILESCCCCc1ccc(NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H27N/c1-5-6-7-18-9-12-20(13-10-18)21-17(4)19-11-8-15(2)16(3)14-19/h8-14,17,21H,5-7H2,1-4H3
InChIKeyFUXYWIXYKDNYSL-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline
CID 43097085
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43119123
4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43099731
2-[1-(4-butylanilino)ethyl]-4-methylphenol
CID 43504758
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline
CID 83059340
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline?
The IUPAC name of 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline (CID 43093915) is 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline.
What is the SMILES notation for 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline?
The canonical SMILES for 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline is CCCCc1ccc(NC(C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline?
The InChIKey is FUXYWIXYKDNYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-6-7-18-9-12-20(13-10-18)21-17(4)19-11-8-15(2)16(3)14-19/h8-14,17,21H,5-7H2,1-4H3.
What are the key properties of 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline?
4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline has a molecular weight of 281.44 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43093915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).