N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine

C15H22BrClN2 — CID 65074191

IUPACN-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H22BrClN2/c1-11(2)19-8-3-4-13(7-9-19)18-15-6-5-12(16)10-14(15)17/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3
InChIKeyXZNMPQWXAGDIRK-UHFFFAOYSA-N
MW345.71 g/mol
LogP4.78
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine

N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine (PubChem CID 65074191) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
PubChem CID65074191
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC NameN-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H22BrClN2/c1-11(2)19-8-3-4-13(7-9-19)18-15-6-5-12(16)10-14(15)17/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3
InChIKeyXZNMPQWXAGDIRK-UHFFFAOYSA-N
XLogP4.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074388
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylazepan-4-amine
CID 65073262
4-bromo-2-[(1-propan-2-ylazepan-4-yl)amino]benzonitrile
CID 107797519
N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 104722837
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
N-(3-bromo-5-chloro-2-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65074357
N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072744
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43774950

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine (CID 65074191) is N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(Nc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is XZNMPQWXAGDIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-11(2)19-8-3-4-13(7-9-19)18-15-6-5-12(16)10-14(15)17/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine?
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 345.71 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65074191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).