N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride

C13H13Cl2F3N2 — CID 71432458

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc(CNc2cccnc2)cc1
InChIInChI=1S/C13H11F3N2.2ClH/c14-13(15,16)11-5-3-10(4-6-11)8-18-12-2-1-7-17-9-12;;/h1-7,9,18H,8H2;2*1H
InChIKeyYGHGMQRWXVOPKT-UHFFFAOYSA-N
MW325.16 g/mol
LogP4.56
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride

N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride (PubChem CID 71432458) has the molecular formula C13H13Cl2F3N2 and a molecular weight of 325.16 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
PubChem CID71432458
Molecular FormulaC13H13Cl2F3N2
Molecular Weight325.16 g/mol
Exact Mass324.04
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc(CNc2cccnc2)cc1
InChIInChI=1S/C13H11F3N2.2ClH/c14-13(15,16)11-5-3-10(4-6-11)8-18-12-2-1-7-17-9-12;;/h1-7,9,18H,8H2;2*1H
InChIKeyYGHGMQRWXVOPKT-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine
CID 104534362
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542878
3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 38108420
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine
CID 166062269

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride (CID 71432458) is N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride is Cl.Cl.FC(F)(F)c1ccc(CNc2cccnc2)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride?
The InChIKey is YGHGMQRWXVOPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2.2ClH/c14-13(15,16)11-5-3-10(4-6-11)8-18-12-2-1-7-17-9-12;;/h1-7,9,18H,8H2;2*1H.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride?
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride has a molecular weight of 325.16 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride is sourced from PubChem (CID 71432458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).