4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

C18H29FN2 — CID 64762403

IUPAC4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC1CCC(Nc2ccc(N(C)C(C)C)c(F)c2)C(C)C1
InChIInChI=1S/C18H29FN2/c1-12(2)21(5)18-9-7-15(11-16(18)19)20-17-8-6-13(3)10-14(17)4/h7,9,11-14,17,20H,6,8,10H2,1-5H3
InChIKeySHPVHZDNYIIWFK-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.91
Rot. Bonds4

About 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 64762403) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID64762403
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC1CCC(Nc2ccc(N(C)C(C)C)c(F)c2)C(C)C1
InChIInChI=1S/C18H29FN2/c1-12(2)21(5)18-9-7-15(11-16(18)19)20-17-8-6-13(3)10-14(17)4/h7,9,11-14,17,20H,6,8,10H2,1-5H3
InChIKeySHPVHZDNYIIWFK-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (CID 64762403) is 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is CC1CCC(Nc2ccc(N(C)C(C)C)c(F)c2)C(C)C1.
What is the InChIKey of 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is SHPVHZDNYIIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-12(2)21(5)18-9-7-15(11-16(18)19)20-17-8-6-13(3)10-14(17)4/h7,9,11-14,17,20H,6,8,10H2,1-5H3.
What are the key properties of 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 292.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 64762403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).