(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane

C14H19N — CID 102053741

IUPAC(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane
SMILESC[C@H](c1ccccc1)N1CC[C@H]2C[C@]21C
InChIInChI=1S/C14H19N/c1-11(12-6-4-3-5-7-12)15-9-8-13-10-14(13,15)2/h3-7,11,13H,8-10H2,1-2H3/t11-,13+,14-/m1/s1
InChIKeyGVTGSDCQHMPVFB-KWCYVHTRSA-N
MW201.31 g/mol
LogP3.23
Rot. Bonds2

About (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane

(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane (PubChem CID 102053741) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane
PubChem CID102053741
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane
SMILESC[C@H](c1ccccc1)N1CC[C@H]2C[C@]21C
InChIInChI=1S/C14H19N/c1-11(12-6-4-3-5-7-12)15-9-8-13-10-14(13,15)2/h3-7,11,13H,8-10H2,1-2H3/t11-,13+,14-/m1/s1
InChIKeyGVTGSDCQHMPVFB-KWCYVHTRSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol
CID 117020423
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429
[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol
CID 117019776
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one
CID 172837508
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
CID 117014797
2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
CID 78011341
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
1-(1-phenylethyl)piperidin-4-amine
CID 12641844

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane (CID 102053741) is (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane is C[C@H](c1ccccc1)N1CC[C@H]2C[C@]21C.
What is the InChIKey of (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane?
The InChIKey is GVTGSDCQHMPVFB-KWCYVHTRSA-N. The full InChI is InChI=1S/C14H19N/c1-11(12-6-4-3-5-7-12)15-9-8-13-10-14(13,15)2/h3-7,11,13H,8-10H2,1-2H3/t11-,13+,14-/m1/s1.
What are the key properties of (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane?
(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane has a molecular weight of 201.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 102053741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).