1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride

C15H13Cl2F3N2 — CID 122685751

IUPAC1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cc(Cl)cc(-c3ccc(C(F)(F)F)nc3)c2)CC1
InChIInChI=1S/C15H12ClF3N2.ClH/c16-12-6-10(5-11(7-12)14(20)3-4-14)9-1-2-13(21-8-9)15(17,18)19;/h1-2,5-8H,3-4,20H2;1H
InChIKeyPFEXWSVUIKJWBM-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.79
Rot. Bonds2

About 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride

1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 122685751) has the molecular formula C15H13Cl2F3N2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID122685751
Molecular FormulaC15H13Cl2F3N2
Molecular Weight349.18 g/mol
Exact Mass348.04
IUPAC Name1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cc(Cl)cc(-c3ccc(C(F)(F)F)nc3)c2)CC1
InChIInChI=1S/C15H12ClF3N2.ClH/c16-12-6-10(5-11(7-12)14(20)3-4-14)9-1-2-13(21-8-9)15(17,18)19;/h1-2,5-8H,3-4,20H2;1H
InChIKeyPFEXWSVUIKJWBM-UHFFFAOYSA-N
XLogP4.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride (CID 122685751) is 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride is Cl.NC1(c2cc(Cl)cc(-c3ccc(C(F)(F)F)nc3)c2)CC1.
What is the InChIKey of 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is PFEXWSVUIKJWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2.ClH/c16-12-6-10(5-11(7-12)14(20)3-4-14)9-1-2-13(21-8-9)15(17,18)19;/h1-2,5-8H,3-4,20H2;1H.
What are the key properties of 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride?
1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 349.18 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 122685751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).