N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine

C13H18N2 — CID 78097230

IUPACN-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine
SMILESc1ccc(C2CC2NCC2CNC2)cc1
InChIInChI=1S/C13H18N2/c1-2-4-11(5-3-1)12-6-13(12)15-9-10-7-14-8-10/h1-5,10,12-15H,6-9H2
InChIKeyARGUJKCXVXGQFI-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.35
Rot. Bonds4

About N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine

N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine (PubChem CID 78097230) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine
PubChem CID78097230
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine
SMILESc1ccc(C2CC2NCC2CNC2)cc1
InChIInChI=1S/C13H18N2/c1-2-4-11(5-3-1)12-6-13(12)15-9-10-7-14-8-10/h1-5,10,12-15H,6-9H2
InChIKeyARGUJKCXVXGQFI-UHFFFAOYSA-N
XLogP1.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl formate;trans-(1R,2S)-N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine
CID 174838718
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
(1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine
CID 129290812
trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 46869734
(1S)-N-[(3-bromo-2,3-dihydrothiophen-2-yl)methyl]-2-phenylcyclopropan-1-amine
CID 89045970
3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126
(1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride
CID 159048584
N-[[1,1-bis[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-phenylcyclopropan-1-amine chloride
CID 77144867
(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine (CID 78097230) is N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine is c1ccc(C2CC2NCC2CNC2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine?
The InChIKey is ARGUJKCXVXGQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-11(5-3-1)12-6-13(12)15-9-10-7-14-8-10/h1-5,10,12-15H,6-9H2.
What are the key properties of N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine?
N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 78097230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).