trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine

C15H16N2 — CID 46869803

IUPACtrans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCc2cccnc2)cc1
InChIInChI=1S/C15H16N2/c1-2-6-13(7-3-1)14-9-15(14)17-11-12-5-4-8-16-10-12/h1-8,10,14-15,17H,9,11H2/t14-,15+/m0/s1
InChIKeyKJYDOPDTMZLEFV-LSDHHAIUSA-N
MW224.31 g/mol
LogP2.73
Rot. Bonds4

About trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine

trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine (PubChem CID 46869803) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
PubChem CID46869803
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Nametrans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCc2cccnc2)cc1
InChIInChI=1S/C15H16N2/c1-2-6-13(7-3-1)14-9-15(14)17-11-12-5-4-8-16-10-12/h1-8,10,14-15,17H,9,11H2/t14-,15+/m0/s1
InChIKeyKJYDOPDTMZLEFV-LSDHHAIUSA-N
XLogP2.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine
CID 90204582
trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 46869734
trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine
CID 53373930
N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 66630014
(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
CID 51590446
(1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
CID 51590448
trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine
CID 130430329
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63001278
3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 113365084

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine (CID 46869803) is trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine is c1ccc([C@@H]2C[C@H]2NCc2cccnc2)cc1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine?
The InChIKey is KJYDOPDTMZLEFV-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H16N2/c1-2-6-13(7-3-1)14-9-15(14)17-11-12-5-4-8-16-10-12/h1-8,10,14-15,17H,9,11H2/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine?
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 46869803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).