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

C15H22ClFN2 — CID 79560372

IUPACN-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
SMILESCC(CC1CCCCCN1)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H22ClFN2/c1-11(10-12-6-3-2-4-9-18-12)19-14-8-5-7-13(16)15(14)17/h5,7-8,11-12,18-19H,2-4,6,9-10H2,1H3
InChIKeyFLZNLTYEWFSQIF-UHFFFAOYSA-N
MW284.81 g/mol
LogP4.20
Rot. Bonds4

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

N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline (PubChem CID 79560372) 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-2-fluoroaniline.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
PubChem CID79560372
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
SMILESCC(CC1CCCCCN1)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H22ClFN2/c1-11(10-12-6-3-2-4-9-18-12)19-14-8-5-7-13(16)15(14)17/h5,7-8,11-12,18-19H,2-4,6,9-10H2,1H3
InChIKeyFLZNLTYEWFSQIF-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

Analyze N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
N-[1-(azepan-2-yl)propan-2-yl]-2-(difluoromethylsulfanyl)aniline
CID 79540761
N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79540760
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-6-fluoroaniline
CID 107598571
2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile
CID 107803271
N-(1-piperidin-2-ylpropan-2-yl)quinolin-8-amine
CID 79549224

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline (CID 79560372) is N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline is CC(CC1CCCCCN1)Nc1cccc(Cl)c1F.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline?
The InChIKey is FLZNLTYEWFSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-11(10-12-6-3-2-4-9-18-12)19-14-8-5-7-13(16)15(14)17/h5,7-8,11-12,18-19H,2-4,6,9-10H2,1H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline?
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-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-2-fluoroaniline is sourced from PubChem (CID 79560372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).