4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane

C13H17N — CID 105442781

IUPAC4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane
SMILESCc1ccc(C2CC3CC3CN2)cc1
InChIInChI=1S/C13H17N/c1-9-2-4-10(5-3-9)13-7-11-6-12(11)8-14-13/h2-5,11-14H,6-8H2,1H3
InChIKeyHRBFZCAGCMTJMM-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.67
Rot. Bonds1

About 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane

4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane (PubChem CID 105442781) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane
PubChem CID105442781
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane
SMILESCc1ccc(C2CC3CC3CN2)cc1
InChIInChI=1S/C13H17N/c1-9-2-4-10(5-3-9)13-7-11-6-12(11)8-14-13/h2-5,11-14H,6-8H2,1H3
InChIKeyHRBFZCAGCMTJMM-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
4-(aziridin-2-yl)aniline
CID 87528388
ethane;(2S)-2-phenylaziridine
CID 145185749
(4R)-4-(4-methylphenyl)-1,3-oxazolidine
CID 175884904
(1S,5S,6R)-6-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 124583210
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
5-methyl-2-(4-methylphenyl)-1,3-diazinane
CID 20673851
5-(4-methylphenyl)pyrrolidin-3-one;hydrochloride
CID 115027658
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
1-[4-(aziridin-2-yl)phenyl]ethanone
CID 138489509
2-(4-propan-2-ylsulfanylphenyl)aziridine
CID 82469044

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane (CID 105442781) is 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane is Cc1ccc(C2CC3CC3CN2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane?
The InChIKey is HRBFZCAGCMTJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-2-4-10(5-3-9)13-7-11-6-12(11)8-14-13/h2-5,11-14H,6-8H2,1H3.
What are the key properties of 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane?
4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane has a molecular weight of 187.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 105442781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).