6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane

C16H23N — CID 86770947

IUPAC6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane
SMILESCc1ccccc1CCCN1CC2CCCC21
InChIInChI=1S/C16H23N/c1-13-6-2-3-7-14(13)9-5-11-17-12-15-8-4-10-16(15)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3
InChIKeyXYXKFEYDRKZHGA-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.41
Rot. Bonds4

About 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane

6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane (PubChem CID 86770947) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane
PubChem CID86770947
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane
SMILESCc1ccccc1CCCN1CC2CCCC21
InChIInChI=1S/C16H23N/c1-13-6-2-3-7-14(13)9-5-11-17-12-15-8-4-10-16(15)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3
InChIKeyXYXKFEYDRKZHGA-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine
CID 97023531
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
1-[3-(2-methylphenyl)propyl]-3-(4-methylpiperazin-1-yl)azepane
CID 166204017
(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide
CID 97007589
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
9-propyl-9-azabicyclo[6.2.0]decane
CID 126990839
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
1-methyl-2-pentylbenzene
CID 524553
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzaldehyde
CID 173055529
1-[3-(2-methylphenyl)propyl]-2H-pyrrol-5-one
CID 141101119

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane (CID 86770947) is 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane is Cc1ccccc1CCCN1CC2CCCC21.
What is the InChIKey of 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane?
The InChIKey is XYXKFEYDRKZHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-13-6-2-3-7-14(13)9-5-11-17-12-15-8-4-10-16(15)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3.
What are the key properties of 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane?
6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane has a molecular weight of 229.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 86770947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).