3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline

C18H20ClN — CID 43632833

IUPAC3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
SMILESCc1ccc(C2CC(Nc3ccc(C)c(Cl)c3)C2)cc1
InChIInChI=1S/C18H20ClN/c1-12-3-6-14(7-4-12)15-9-17(10-15)20-16-8-5-13(2)18(19)11-16/h3-8,11,15,17,20H,9-10H2,1-2H3
InChIKeyVDTXBMUDHLLEBI-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.31
Rot. Bonds3

About 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline

3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline (PubChem CID 43632833) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
PubChem CID43632833
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
SMILESCc1ccc(C2CC(Nc3ccc(C)c(Cl)c3)C2)cc1
InChIInChI=1S/C18H20ClN/c1-12-3-6-14(7-4-12)15-9-17(10-15)20-16-8-5-13(2)18(19)11-16/h3-8,11,15,17,20H,9-10H2,1-2H3
InChIKeyVDTXBMUDHLLEBI-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-iodo-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43716332
2-chloro-5-[[3-(4-methylphenyl)cyclobutyl]amino]benzonitrile
CID 43686969
N-[3-(4-chlorophenyl)cyclobutyl]-3-iodo-4-methylaniline
CID 43716337
4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
CID 43742864
2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
CID 64795009
2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol
CID 107678521
2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43632803
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 107582526
3-[[3-(4-methylphenyl)cyclobutyl]amino]benzoic acid
CID 43635181
3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine
CID 115376368

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline (CID 43632833) is 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline is Cc1ccc(C2CC(Nc3ccc(C)c(Cl)c3)C2)cc1.
What is the InChIKey of 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The InChIKey is VDTXBMUDHLLEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-3-6-14(7-4-12)15-9-17(10-15)20-16-8-5-13(2)18(19)11-16/h3-8,11,15,17,20H,9-10H2,1-2H3.
What are the key properties of 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline?
3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline has a molecular weight of 285.82 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43632833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).