N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine

C15H22ClFN2 — CID 65074388

IUPACN-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H22ClFN2/c1-11(2)19-8-3-4-13(7-9-19)18-15-6-5-12(17)10-14(15)16/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3
InChIKeyWGBYZUPGHYFIIO-UHFFFAOYSA-N
MW284.81 g/mol
LogP4.15
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine

N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine (PubChem CID 65074388) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
PubChem CID65074388
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H22ClFN2/c1-11(2)19-8-3-4-13(7-9-19)18-15-6-5-12(17)10-14(15)16/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3
InChIKeyWGBYZUPGHYFIIO-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine (CID 65074388) is N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is WGBYZUPGHYFIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-11(2)19-8-3-4-13(7-9-19)18-15-6-5-12(17)10-14(15)16/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine?
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 284.81 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65074388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).