N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine

C15H23BrN2 — CID 65070708

IUPACN-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
SMILESCC(NC1CCCN(C)CC1)c1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-12(14-7-3-4-8-15(14)16)17-13-6-5-10-18(2)11-9-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3
InChIKeyZNBAKIJVUXIPPJ-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine

N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine (PubChem CID 65070708) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
PubChem CID65070708
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
SMILESCC(NC1CCCN(C)CC1)c1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-12(14-7-3-4-8-15(14)16)17-13-6-5-10-18(2)11-9-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3
InChIKeyZNBAKIJVUXIPPJ-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81379065
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
tert-butyl 4-[[(1S)-1-(2-bromophenyl)ethyl]amino]azepane-1-carboxylate
CID 113361622
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524
N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
CID 43109619
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine (CID 65070708) is N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine is CC(NC1CCCN(C)CC1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine?
The InChIKey is ZNBAKIJVUXIPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-12(14-7-3-4-8-15(14)16)17-13-6-5-10-18(2)11-9-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine?
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine has a molecular weight of 311.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65070708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).