2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine

C16H23F3N2 — CID 172692197

IUPAC2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
SMILESCN(C)C1CC(c2cccc(C(F)(F)F)c2)CCC1(C)N
InChIInChI=1S/C16H23F3N2/c1-15(20)8-7-12(10-14(15)21(2)3)11-5-4-6-13(9-11)16(17,18)19/h4-6,9,12,14H,7-8,10,20H2,1-3H3
InChIKeyBVGHGCUEXWHIDI-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.62
Rot. Bonds2

About 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine

2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine (PubChem CID 172692197) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
PubChem CID172692197
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
SMILESCN(C)C1CC(c2cccc(C(F)(F)F)c2)CCC1(C)N
InChIInChI=1S/C16H23F3N2/c1-15(20)8-7-12(10-14(15)21(2)3)11-5-4-6-13(9-11)16(17,18)19/h4-6,9,12,14H,7-8,10,20H2,1-3H3
InChIKeyBVGHGCUEXWHIDI-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine (CID 172692197) is 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine is CN(C)C1CC(c2cccc(C(F)(F)F)c2)CCC1(C)N.
What is the InChIKey of 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
The InChIKey is BVGHGCUEXWHIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-15(20)8-7-12(10-14(15)21(2)3)11-5-4-6-13(9-11)16(17,18)19/h4-6,9,12,14H,7-8,10,20H2,1-3H3.
What are the key properties of 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine has a molecular weight of 300.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 172692197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).