N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine

C17H26F2N2 — CID 63785833

IUPACN-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
SMILESCC(N)Cc1cc(F)c(N(C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C17H26F2N2/c1-12(20)9-13-10-15(18)17(16(19)11-13)21(2)14-7-5-3-4-6-8-14/h10-12,14H,3-9,20H2,1-2H3
InChIKeyOFTDFMYVGVAPLO-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.01
Rot. Bonds4

About N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine

N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine (PubChem CID 63785833) has the molecular formula C17H26F2N2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
PubChem CID63785833
Molecular FormulaC17H26F2N2
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
SMILESCC(N)Cc1cc(F)c(N(C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C17H26F2N2/c1-12(20)9-13-10-15(18)17(16(19)11-13)21(2)14-7-5-3-4-6-8-14/h10-12,14H,3-9,20H2,1-2H3
InChIKeyOFTDFMYVGVAPLO-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(chloromethyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63540066
4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline
CID 107079915
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
4-[cycloheptyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286544
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
CID 63938764
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 63793431
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 63815627
4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 107081296
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine?
The IUPAC name of N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine (CID 63785833) is N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine is CC(N)Cc1cc(F)c(N(C)C2CCCCCC2)c(F)c1.
What is the InChIKey of N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine?
The InChIKey is OFTDFMYVGVAPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-12(20)9-13-10-15(18)17(16(19)11-13)21(2)14-7-5-3-4-6-8-14/h10-12,14H,3-9,20H2,1-2H3.
What are the key properties of N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine?
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine has a molecular weight of 296.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine is sourced from PubChem (CID 63785833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).