trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride

C15H13Cl2F3N2 — CID 162332756

IUPACtrans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C15H12ClF3N2.ClH/c16-12-3-2-9(15(17,18)19)5-11(12)14-4-1-8(7-21-14)10-6-13(10)20;/h1-5,7,10,13H,6,20H2;1H/t10-,13+;/m1./s1
InChIKeyZITKVVHJPRKESQ-HTKOBJQYSA-N
MW349.18 g/mol
LogP4.66
Rot. Bonds2

About trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride

trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride (PubChem CID 162332756) has the molecular formula C15H13Cl2F3N2 and a molecular weight of 349.18 g/mol. Its IUPAC name is trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride
PubChem CID162332756
Molecular FormulaC15H13Cl2F3N2
Molecular Weight349.18 g/mol
Exact Mass348.04
IUPAC Nametrans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C15H12ClF3N2.ClH/c16-12-3-2-9(15(17,18)19)5-11(12)14-4-1-8(7-21-14)10-6-13(10)20;/h1-5,7,10,13H,6,20H2;1H/t10-,13+;/m1./s1
InChIKeyZITKVVHJPRKESQ-HTKOBJQYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride with MolForge

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Related Compounds

2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine
CID 118813630
trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine
CID 56652650
N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 66714168
2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 66715399
3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride
CID 66714505
trans-(1S,2R)-2-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
CID 162324517
3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol
CID 87120840
cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
CID 86676669
trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
CID 162328920
6-[2-methyl-4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 102755510
trans-(1S,2R)-2-[6-(4-isocyanophenyl)-3-pyridinyl]cyclopropan-1-amine;dihydrochloride
CID 160936629
N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride
CID 66714686

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride (CID 162332756) is trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride is Cl.N[C@H]1C[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)nc1.
What is the InChIKey of trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is ZITKVVHJPRKESQ-HTKOBJQYSA-N. The full InChI is InChI=1S/C15H12ClF3N2.ClH/c16-12-3-2-9(15(17,18)19)5-11(12)14-4-1-8(7-21-14)10-6-13(10)20;/h1-5,7,10,13H,6,20H2;1H/t10-,13+;/m1./s1.
What are the key properties of trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride?
trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 349.18 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 162332756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).