N-[(3,4-difluorophenyl)methyl]azepan-4-amine

C13H18F2N2 — CID 103981875

IUPACN-[(3,4-difluorophenyl)methyl]azepan-4-amine
SMILESFc1ccc(CNC2CCCNCC2)cc1F
InChIInChI=1S/C13H18F2N2/c14-12-4-3-10(8-13(12)15)9-17-11-2-1-6-16-7-5-11/h3-4,8,11,16-17H,1-2,5-7,9H2
InChIKeyZSJZLWPMSZDDPU-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.20
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]azepan-4-amine

N-[(3,4-difluorophenyl)methyl]azepan-4-amine (PubChem CID 103981875) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]azepan-4-amine
PubChem CID103981875
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]azepan-4-amine
SMILESFc1ccc(CNC2CCCNCC2)cc1F
InChIInChI=1S/C13H18F2N2/c14-12-4-3-10(8-13(12)15)9-17-11-2-1-6-16-7-5-11/h3-4,8,11,16-17H,1-2,5-7,9H2
InChIKeyZSJZLWPMSZDDPU-UHFFFAOYSA-N
XLogP2.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
N-[(3-bromophenyl)methyl]azepan-4-amine
CID 103981810
N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine
CID 84753916
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
3-[(azepan-4-ylamino)methyl]benzonitrile
CID 103981588
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]azepan-4-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]azepan-4-amine (CID 103981875) is N-[(3,4-difluorophenyl)methyl]azepan-4-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]azepan-4-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]azepan-4-amine is Fc1ccc(CNC2CCCNCC2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]azepan-4-amine?
The InChIKey is ZSJZLWPMSZDDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-12-4-3-10(8-13(12)15)9-17-11-2-1-6-16-7-5-11/h3-4,8,11,16-17H,1-2,5-7,9H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]azepan-4-amine?
N-[(3,4-difluorophenyl)methyl]azepan-4-amine has a molecular weight of 240.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]azepan-4-amine is sourced from PubChem (CID 103981875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).