N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine

C15H22BrFN2 — CID 104775951

IUPACN-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H22BrFN2/c1-2-8-19-9-3-4-12(7-10-19)18-13-5-6-15(17)14(16)11-13/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyRXVBRSXCNABGMW-UHFFFAOYSA-N
MW329.26 g/mol
LogP4.26
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine

N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine (PubChem CID 104775951) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
PubChem CID104775951
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H22BrFN2/c1-2-8-19-9-3-4-12(7-10-19)18-13-5-6-15(17)14(16)11-13/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyRXVBRSXCNABGMW-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine
CID 65072735
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65072952
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
CID 107598285
N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
CID 107619168
4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
CID 116735684
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine (CID 104775951) is N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine?
The InChIKey is RXVBRSXCNABGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-2-8-19-9-3-4-12(7-10-19)18-13-5-6-15(17)14(16)11-13/h5-6,11-12,18H,2-4,7-10H2,1H3.
What are the key properties of N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine?
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine has a molecular weight of 329.26 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine is sourced from PubChem (CID 104775951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).