2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine

C18H17N — CID 62340040

IUPAC2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
SMILESC(#Cc1ccccc1)CNC1CC1c1ccccc1
InChIInChI=1S/C18H17N/c1-3-8-15(9-4-1)10-7-13-19-18-14-17(18)16-11-5-2-6-12-16/h1-6,8-9,11-12,17-19H,13-14H2
InChIKeyMSUOEOLCCMDMLB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.18
Rot. Bonds3

About 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine

2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine (PubChem CID 62340040) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
PubChem CID62340040
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
SMILESC(#Cc1ccccc1)CNC1CC1c1ccccc1
InChIInChI=1S/C18H17N/c1-3-8-15(9-4-1)10-7-13-19-18-14-17(18)16-11-5-2-6-12-16/h1-6,8-9,11-12,17-19H,13-14H2
InChIKeyMSUOEOLCCMDMLB-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylprop-2-ynyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80721448
2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
CID 62341051
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
4-methyl-N-(3-phenylprop-2-ynyl)cyclohexan-1-amine
CID 62340350
2-N-methyl-1-N-(2-phenylcyclopropyl)propane-1,2-diamine
CID 62632238
3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
CID 115919440
2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol
CID 81411044
3-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]benzonitrile
CID 114480146
9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472387
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63001278
1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile
CID 146311217

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine?
The IUPAC name of 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine (CID 62340040) is 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine.
What is the SMILES notation for 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine?
The canonical SMILES for 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine is C(#Cc1ccccc1)CNC1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine?
The InChIKey is MSUOEOLCCMDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-3-8-15(9-4-1)10-7-13-19-18-14-17(18)16-11-5-2-6-12-16/h1-6,8-9,11-12,17-19H,13-14H2.
What are the key properties of 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine?
2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine is sourced from PubChem (CID 62340040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).