4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine

C13H17ClF3N3 — CID 79115291

IUPAC4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)C1CCC(N)CC1
InChIInChI=1S/C13H17ClF3N3/c1-20(10-4-2-9(18)3-5-10)12-11(14)6-8(7-19-12)13(15,16)17/h6-7,9-10H,2-5,18H2,1H3
InChIKeyGHSHWTKLXSMNMV-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.46
Rot. Bonds2

About 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79115291) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79115291
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)C1CCC(N)CC1
InChIInChI=1S/C13H17ClF3N3/c1-20(10-4-2-9(18)3-5-10)12-11(14)6-8(7-19-12)13(15,16)17/h6-7,9-10H,2-5,18H2,1H3
InChIKeyGHSHWTKLXSMNMV-UHFFFAOYSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79114166
3-chloro-N-methyl-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 71640871
3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 102637871
3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 71641080
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653233
4-N-methyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine
CID 79115562
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 116977647
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyclopropylamino]acetic acid
CID 54945709

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine (CID 79115291) is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine is CN(c1ncc(C(F)(F)F)cc1Cl)C1CCC(N)CC1.
What is the InChIKey of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is GHSHWTKLXSMNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-20(10-4-2-9(18)3-5-10)12-11(14)6-8(7-19-12)13(15,16)17/h6-7,9-10H,2-5,18H2,1H3.
What are the key properties of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 307.75 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79115291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).