3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline

C18H20BrN — CID 107582526

IUPAC3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
SMILESCc1ccc(C2CC(Nc3cc(C)cc(Br)c3)C2)cc1
InChIInChI=1S/C18H20BrN/c1-12-3-5-14(6-4-12)15-9-18(10-15)20-17-8-13(2)7-16(19)11-17/h3-8,11,15,18,20H,9-10H2,1-2H3
InChIKeyDAVLPNFELVIVSR-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.42
Rot. Bonds3

About 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline

3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline (PubChem CID 107582526) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
PubChem CID107582526
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
SMILESCc1ccc(C2CC(Nc3cc(C)cc(Br)c3)C2)cc1
InChIInChI=1S/C18H20BrN/c1-12-3-5-14(6-4-12)15-9-18(10-15)20-17-8-13(2)7-16(19)11-17/h3-8,11,15,18,20H,9-10H2,1-2H3
InChIKeyDAVLPNFELVIVSR-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 63425239
2,6-dibromo-N-[3-(4-bromophenyl)cyclobutyl]-4-methylaniline
CID 63425282
3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline
CID 107582419
4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
CID 43742864
3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline
CID 43633547
3-iodo-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43716332
3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43632833
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine
CID 66350147
3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine
CID 115376368
2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
CID 64795009
N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine
CID 43632728

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline (CID 107582526) is 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline is Cc1ccc(C2CC(Nc3cc(C)cc(Br)c3)C2)cc1.
What is the InChIKey of 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The InChIKey is DAVLPNFELVIVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-12-3-5-14(6-4-12)15-9-18(10-15)20-17-8-13(2)7-16(19)11-17/h3-8,11,15,18,20H,9-10H2,1-2H3.
What are the key properties of 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline?
3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline has a molecular weight of 330.27 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 107582526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).