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

C15H12ClF3N2 — CID 56654024

IUPACtrans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C15H12ClF3N2/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/t10-,13+/m1/s1
InChIKeyUSLJOZQVBREALG-MFKMUULPSA-N
MW312.72 g/mol
LogP4.24
Rot. Bonds2

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

trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine (PubChem CID 56654024) has the molecular formula C15H12ClF3N2 and a molecular weight of 312.72 g/mol. Its IUPAC name is trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
PubChem CID56654024
Molecular FormulaC15H12ClF3N2
Molecular Weight312.72 g/mol
Exact Mass312.06
IUPAC Nametrans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C15H12ClF3N2/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/t10-,13+/m1/s1
InChIKeyUSLJOZQVBREALG-MFKMUULPSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
(-)-Chlorpheniramine
CID 716121
2-(4'-Chlorobenzyl)pyridine
CID 78054
alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
2-(P-Chlorostyryl)pyridine
CID 219326
2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2-yl)acetonitrile (20)
CID 56604850
2-(4-Chloro-2-fluorophenyl)-2-(5-(trifluoromethyl)-pyridin-2-yl)acetonitrile (31)
CID 77014339
2-(4-Chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 2773827
cis-[3-(2,4-Dichloro-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine;C2H4O4
CID 12930059
cis-[3-(4-Chloro-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine;C2H4O4
CID 20478936
Dexchlorpheniramine hydrochloride
CID 60196361

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine (CID 56654024) is trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine is 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?
The InChIKey is USLJOZQVBREALG-MFKMUULPSA-N. The full InChI is InChI=1S/C15H12ClF3N2/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/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?
trans-(1S,2R)-2-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 312.72 g/mol, XLogP of 4.24, 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 is sourced from PubChem (CID 56654024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).