N-(2-bromo-4-methylphenyl)azepan-4-amine

C13H19BrN2 — CID 103980363

IUPACN-(2-bromo-4-methylphenyl)azepan-4-amine
SMILESCc1ccc(NC2CCCNCC2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-4-5-13(12(14)9-10)16-11-3-2-7-15-8-6-11/h4-5,9,11,15-16H,2-3,6-8H2,1H3
InChIKeyFYTDWACLAXASAR-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.31
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)azepan-4-amine

N-(2-bromo-4-methylphenyl)azepan-4-amine (PubChem CID 103980363) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)azepan-4-amine
PubChem CID103980363
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-(2-bromo-4-methylphenyl)azepan-4-amine
SMILESCc1ccc(NC2CCCNCC2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-4-5-13(12(14)9-10)16-11-3-2-7-15-8-6-11/h4-5,9,11,15-16H,2-3,6-8H2,1H3
InChIKeyFYTDWACLAXASAR-UHFFFAOYSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-4-ylamino)-4-methylbenzonitrile
CID 107173825
N-(2-bromo-4-methylphenyl)thian-4-amine
CID 43511235
N-(4-bromo-2-fluorophenyl)azepan-4-amine
CID 103980423
N-(5-chloro-2-methylphenyl)azepan-4-amine
CID 103980298
N-(5-methyl-2-pyridinyl)azepan-4-amine
CID 107173810
N-(2,4-dibromophenyl)pyrrolidin-3-amine
CID 79725192
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
N-(3-methoxy-2,4-dimethylphenyl)azepan-4-amine
CID 103981427
N-[3-bromo-2-(methoxymethyl)phenyl]azepan-4-amine
CID 103981751
N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine
CID 115052418
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 79724113

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)azepan-4-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)azepan-4-amine (CID 103980363) is N-(2-bromo-4-methylphenyl)azepan-4-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)azepan-4-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)azepan-4-amine is Cc1ccc(NC2CCCNCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)azepan-4-amine?
The InChIKey is FYTDWACLAXASAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-4-5-13(12(14)9-10)16-11-3-2-7-15-8-6-11/h4-5,9,11,15-16H,2-3,6-8H2,1H3.
What are the key properties of N-(2-bromo-4-methylphenyl)azepan-4-amine?
N-(2-bromo-4-methylphenyl)azepan-4-amine has a molecular weight of 283.21 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)azepan-4-amine is sourced from PubChem (CID 103980363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).