N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine

C16H24F2N2 — CID 43613899

IUPACN-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(C1CCCCCC1)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C16H24F2N2/c1-20(13-6-4-2-3-5-7-13)16(11-19)14-9-8-12(17)10-15(14)18/h8-10,13,16H,2-7,11,19H2,1H3
InChIKeyKGVYFTSSAYBACP-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.62
Rot. Bonds4

About N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine

N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 43613899) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
PubChem CID43613899
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(C1CCCCCC1)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C16H24F2N2/c1-20(13-6-4-2-3-5-7-13)16(11-19)14-9-8-12(17)10-15(14)18/h8-10,13,16H,2-7,11,19H2,1H3
InChIKeyKGVYFTSSAYBACP-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545332
2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
CID 80502991
1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43266968
1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570816
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43266992
N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
CID 62413896
N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79983610
N-cyclohexyl-N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 43079199
1-(2,4-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002988

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine (CID 43613899) is N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine is CN(C1CCCCCC1)C(CN)c1ccc(F)cc1F.
What is the InChIKey of N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is KGVYFTSSAYBACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-20(13-6-4-2-3-5-7-13)16(11-19)14-9-8-12(17)10-15(14)18/h8-10,13,16H,2-7,11,19H2,1H3.
What are the key properties of N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine?
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 282.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43613899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).