N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine

C15H23BrN2O — CID 65073536

IUPACN-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C15H23BrN2O/c1-3-18-9-4-5-13(8-10-18)17-14-11-12(16)6-7-15(14)19-2/h6-7,11,13,17H,3-5,8-10H2,1-2H3
InChIKeyZPIDAROCNALAHL-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.74
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine

N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine (PubChem CID 65073536) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
PubChem CID65073536
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C15H23BrN2O/c1-3-18-9-4-5-13(8-10-18)17-14-11-12(16)6-7-15(14)19-2/h6-7,11,13,17H,3-5,8-10H2,1-2H3
InChIKeyZPIDAROCNALAHL-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
CID 65074592
N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 65083314
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703
N-(3-bromophenyl)-1-ethylazepan-4-amine
CID 65072536
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
4-bromo-2-N-(1-ethylpiperidin-3-yl)benzene-1,2-diamine
CID 65343642
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
CID 65072468
5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
CID 64744839
1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine (CID 65073536) is N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine is CCN1CCCC(Nc2cc(Br)ccc2OC)CC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine?
The InChIKey is ZPIDAROCNALAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-18-9-4-5-13(8-10-18)17-14-11-12(16)6-7-15(14)19-2/h6-7,11,13,17H,3-5,8-10H2,1-2H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine?
N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine has a molecular weight of 327.27 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65073536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).