1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine

C11H15BrN2 — CID 80560844

IUPAC1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
SMILESCc1ccc(Br)cc1NC1CC(N)C1
InChIInChI=1S/C11H15BrN2/c1-7-2-3-8(12)4-11(7)14-10-5-9(13)6-10/h2-4,9-10,14H,5-6,13H2,1H3
InChIKeyQBWKKCPELCTWBA-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.66
Rot. Bonds2

About 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine

1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine (PubChem CID 80560844) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
PubChem CID80560844
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
SMILESCc1ccc(Br)cc1NC1CC(N)C1
InChIInChI=1S/C11H15BrN2/c1-7-2-3-8(12)4-11(7)14-10-5-9(13)6-10/h2-4,9-10,14H,5-6,13H2,1H3
InChIKeyQBWKKCPELCTWBA-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[3-(4-bromophenyl)cyclobutyl]-2-methylaniline
CID 43729681
3-[(3-aminocyclobutyl)amino]-4-methylbenzonitrile
CID 80562351
5-bromo-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43729668
N-(5-bromo-2-methylphenyl)thian-4-amine
CID 43729710
N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine
CID 79941633
1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine
CID 107591345
5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681987
N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
CID 80561000
N-(5-bromo-2-methylphenyl)adamantan-2-amine
CID 43729666
3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine
CID 79461969
5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline
CID 80705464
4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine (CID 80560844) is 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine is Cc1ccc(Br)cc1NC1CC(N)C1.
What is the InChIKey of 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine?
The InChIKey is QBWKKCPELCTWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-7-2-3-8(12)4-11(7)14-10-5-9(13)6-10/h2-4,9-10,14H,5-6,13H2,1H3.
What are the key properties of 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine?
1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine has a molecular weight of 255.16 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80560844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).