4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline

C20H27N — CID 43100000

IUPAC4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
SMILESCCCCc1ccc(NC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H27N/c1-4-6-7-18-10-14-20(15-11-18)21-16(3)19-12-8-17(5-2)9-13-19/h8-16,21H,4-7H2,1-3H3
InChIKeyCVDNRRWKVDBNDG-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.76
Rot. Bonds7

About 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline

4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline (PubChem CID 43100000) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
PubChem CID43100000
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
SMILESCCCCc1ccc(NC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H27N/c1-4-6-7-18-10-14-20(15-11-18)21-16(3)19-12-8-17(5-2)9-13-19/h8-16,21H,4-7H2,1-3H3
InChIKeyCVDNRRWKVDBNDG-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline
CID 43093915
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline
CID 43097085
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43119123
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
N-(1-phenylethyl)-4-propylaniline
CID 43078217
4-ethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43195541
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline?
The IUPAC name of 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline (CID 43100000) is 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline.
What is the SMILES notation for 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline?
The canonical SMILES for 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline is CCCCc1ccc(NC(C)c2ccc(CC)cc2)cc1.
What is the InChIKey of 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline?
The InChIKey is CVDNRRWKVDBNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-6-7-18-10-14-20(15-11-18)21-16(3)19-12-8-17(5-2)9-13-19/h8-16,21H,4-7H2,1-3H3.
What are the key properties of 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline?
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline has a molecular weight of 281.44 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline is sourced from PubChem (CID 43100000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).