4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline

C16H24F2N2 — CID 107933009

IUPAC4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline
SMILESCN(c1ccc(CN)c(F)c1F)C1CCC(C)(C)CC1
InChIInChI=1S/C16H24F2N2/c1-16(2)8-6-12(7-9-16)20(3)13-5-4-11(10-19)14(17)15(13)18/h4-5,12H,6-10,19H2,1-3H3
InChIKeyDHKTZVSVTFLXMT-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.83
Rot. Bonds3

About 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline

4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline (PubChem CID 107933009) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline
PubChem CID107933009
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline
SMILESCN(c1ccc(CN)c(F)c1F)C1CCC(C)(C)CC1
InChIInChI=1S/C16H24F2N2/c1-16(2)8-6-12(7-9-16)20(3)13-5-4-11(10-19)14(17)15(13)18/h4-5,12H,6-10,19H2,1-3H3
InChIKeyDHKTZVSVTFLXMT-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline (CID 107933009) is 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline is CN(c1ccc(CN)c(F)c1F)C1CCC(C)(C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline?
The InChIKey is DHKTZVSVTFLXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-16(2)8-6-12(7-9-16)20(3)13-5-4-11(10-19)14(17)15(13)18/h4-5,12H,6-10,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline?
4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline has a molecular weight of 282.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline is sourced from PubChem (CID 107933009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).