trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine

C17H19N — CID 134994236

IUPACtrans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine
SMILESCN(C)C1[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H19N/c1-18(2)17-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3/t15-,16-/m1/s1
InChIKeyDKHYZCYIYVTQAD-HZPDHXFCSA-N
MW237.35 g/mol
LogP3.50
Rot. Bonds3

About trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine

trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine (PubChem CID 134994236) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine
PubChem CID134994236
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Nametrans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine
SMILESCN(C)C1[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H19N/c1-18(2)17-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3/t15-,16-/m1/s1
InChIKeyDKHYZCYIYVTQAD-HZPDHXFCSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine
CID 173163719
8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene
CID 102436446
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
2,3-diphenylcyclopropan-1-ol
CID 15400659
[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene
CID 135038673
6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 140892299
1-methyl-4-[2-(1-methylpyridin-1-ium-4-yl)-3-phenylcyclopropyl]pyridin-1-ium
CID 20677988
(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 135285970
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
CID 101070996
N,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
diphenyliodanium;ethane;methane
CID 159636739

Frequently Asked Questions

What is the IUPAC name of trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine?
The IUPAC name of trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine (CID 134994236) is trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine.
What is the SMILES notation for trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine?
The canonical SMILES for trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine is CN(C)C1[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine?
The InChIKey is DKHYZCYIYVTQAD-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H19N/c1-18(2)17-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3/t15-,16-/m1/s1.
What are the key properties of trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine?
trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine is sourced from PubChem (CID 134994236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).