2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline

C17H17Cl2N — CID 43632803

IUPAC2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline
SMILESCc1ccc(C2CC(Nc3cc(Cl)ccc3Cl)C2)cc1
InChIInChI=1S/C17H17Cl2N/c1-11-2-4-12(5-3-11)13-8-15(9-13)20-17-10-14(18)6-7-16(17)19/h2-7,10,13,15,20H,8-9H2,1H3
InChIKeyPMCFSBTZLCDMPH-UHFFFAOYSA-N
MW306.24 g/mol
LogP5.66
Rot. Bonds3

About 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline

2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline (PubChem CID 43632803) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline
PubChem CID43632803
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline
SMILESCc1ccc(C2CC(Nc3cc(Cl)ccc3Cl)C2)cc1
InChIInChI=1S/C17H17Cl2N/c1-11-2-4-12(5-3-11)13-8-15(9-13)20-17-10-14(18)6-7-16(17)19/h2-7,10,13,15,20H,8-9H2,1H3
InChIKeyPMCFSBTZLCDMPH-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.24
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]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

2,5-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]-4-methylaniline
CID 104726394
N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline
CID 43632805
2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242
3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43632833
N-[3-(4-chlorophenyl)cyclobutyl]-2,4,5-trifluoroaniline
CID 63478390
4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline
CID 43716640
N-[3-(4-chlorophenyl)cyclobutyl]-4-iodo-2-methylaniline
CID 43717158
4-bromo-N-[3-(4-chlorophenyl)cyclobutyl]-2-methylaniline
CID 43633029
2-chloro-5-[[3-(4-methylphenyl)cyclobutyl]amino]benzonitrile
CID 43686969
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline
CID 65470101

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline (CID 43632803) is 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline is Cc1ccc(C2CC(Nc3cc(Cl)ccc3Cl)C2)cc1.
What is the InChIKey of 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The InChIKey is PMCFSBTZLCDMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-11-2-4-12(5-3-11)13-8-15(9-13)20-17-10-14(18)6-7-16(17)19/h2-7,10,13,15,20H,8-9H2,1H3.
What are the key properties of 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline?
2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline has a molecular weight of 306.24 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43632803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).