N-(3-bromophenyl)-1-ethylazepan-4-amine

C14H21BrN2 — CID 65072536

IUPACN-(3-bromophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cccc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2/c1-2-17-9-4-7-13(8-10-17)16-14-6-3-5-12(15)11-14/h3,5-6,11,13,16H,2,4,7-10H2,1H3
InChIKeyJZUYLNDKZGLILD-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.74
Rot. Bonds3

About N-(3-bromophenyl)-1-ethylazepan-4-amine

N-(3-bromophenyl)-1-ethylazepan-4-amine (PubChem CID 65072536) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-ethylazepan-4-amine
PubChem CID65072536
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-(3-bromophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cccc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2/c1-2-17-9-4-7-13(8-10-17)16-14-6-3-5-12(15)11-14/h3,5-6,11,13,16H,2,4,7-10H2,1H3
InChIKeyJZUYLNDKZGLILD-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
CID 107619168
N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
CID 65074592
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
1-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]azepan-4-amine
CID 65073447
N-[3-(aminomethyl)phenyl]-1-ethylpiperidin-4-amine
CID 174624334
1-ethyl-N-(4-iodophenyl)azepan-4-amine
CID 65073993
N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
CID 65073536
N-(3-bromo-4-nitrophenyl)-1-ethylazepan-4-amine
CID 82864140
N-(1,3-benzodioxol-5-yl)-1-ethylazepan-4-amine
CID 65072696
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
CID 28731349
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(3-bromophenyl)-1-ethylazepan-4-amine (CID 65072536) is N-(3-bromophenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(3-bromophenyl)-1-ethylazepan-4-amine is CCN1CCCC(Nc2cccc(Br)c2)CC1.
What is the InChIKey of N-(3-bromophenyl)-1-ethylazepan-4-amine?
The InChIKey is JZUYLNDKZGLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-2-17-9-4-7-13(8-10-17)16-14-6-3-5-12(15)11-14/h3,5-6,11,13,16H,2,4,7-10H2,1H3.
What are the key properties of N-(3-bromophenyl)-1-ethylazepan-4-amine?
N-(3-bromophenyl)-1-ethylazepan-4-amine has a molecular weight of 297.24 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65072536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).