cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride

C10H13Cl2F3N2 — CID 131637722

IUPACcyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NC(c1ccncc1C(F)(F)F)C1CC1
InChIInChI=1S/C10H11F3N2.2ClH/c11-10(12,13)8-5-15-4-3-7(8)9(14)6-1-2-6;;/h3-6,9H,1-2,14H2;2*1H
InChIKeySXDSWYIDEQRWMJ-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.35
Rot. Bonds2

About cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride

cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride (PubChem CID 131637722) has the molecular formula C10H13Cl2F3N2 and a molecular weight of 289.13 g/mol. Its IUPAC name is cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride.

Molecular Properties

Compound Namecyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride
PubChem CID131637722
Molecular FormulaC10H13Cl2F3N2
Molecular Weight289.13 g/mol
Exact Mass288.04
IUPAC Namecyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NC(c1ccncc1C(F)(F)F)C1CC1
InChIInChI=1S/C10H11F3N2.2ClH/c11-10(12,13)8-5-15-4-3-7(8)9(14)6-1-2-6;;/h3-6,9H,1-2,14H2;2*1H
InChIKeySXDSWYIDEQRWMJ-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710009
(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708268
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(R)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131415856
(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131397243
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171228434
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
CID 171218361
cyclopropyl-[3-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
CID 131637723
4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine
CID 170214219
(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
CID 130633063

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride?
The IUPAC name of cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride (CID 131637722) is cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride.
What is the SMILES notation for cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride?
The canonical SMILES for cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride is Cl.Cl.NC(c1ccncc1C(F)(F)F)C1CC1.
What is the InChIKey of cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride?
The InChIKey is SXDSWYIDEQRWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2.2ClH/c11-10(12,13)8-5-15-4-3-7(8)9(14)6-1-2-6;;/h3-6,9H,1-2,14H2;2*1H.
What are the key properties of cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride?
cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride has a molecular weight of 289.13 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride is sourced from PubChem (CID 131637722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).