N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline

C15H22ClFN2 — CID 107364392

IUPACN-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline
SMILESCC(CC1CCCCCN1)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-11(7-14-5-3-2-4-6-18-14)19-15-9-12(16)8-13(17)10-15/h8-11,14,18-19H,2-7H2,1H3
InChIKeyOBQDLNBHCCGEQX-UHFFFAOYSA-N
MW284.81 g/mol
LogP4.20
Rot. Bonds4

About N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline

N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline (PubChem CID 107364392) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline
PubChem CID107364392
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline
SMILESCC(CC1CCCCCN1)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-11(7-14-5-3-2-4-6-18-14)19-15-9-12(16)8-13(17)10-15/h8-11,14,18-19H,2-7H2,1H3
InChIKeyOBQDLNBHCCGEQX-UHFFFAOYSA-N
XLogP4.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537051
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
N-[1-(azepan-2-yl)propan-2-yl]-3-fluoro-4-methoxyaniline
CID 79560872
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
CID 79560372
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79536255
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline (CID 107364392) is N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline is CC(CC1CCCCCN1)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline?
The InChIKey is OBQDLNBHCCGEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-11(7-14-5-3-2-4-6-18-14)19-15-9-12(16)8-13(17)10-15/h8-11,14,18-19H,2-7H2,1H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline?
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline has a molecular weight of 284.81 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline is sourced from PubChem (CID 107364392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).