3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine

C14H19N — CID 115790226

IUPAC3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)C2CC3CC3C2)c1
InChIInChI=1S/C14H19N/c1-9-3-2-4-10(5-9)14(15)13-7-11-6-12(11)8-13/h2-5,11-14H,6-8,15H2,1H3
InChIKeyFOVAJTHHIQWOKN-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.04
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine

3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine (PubChem CID 115790226) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
PubChem CID115790226
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)C2CC3CC3C2)c1
InChIInChI=1S/C14H19N/c1-9-3-2-4-10(5-9)14(15)13-7-11-6-12(11)8-13/h2-5,11-14H,6-8,15H2,1H3
InChIKeyFOVAJTHHIQWOKN-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115789805
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine
CID 107004134
CID 156724864
CID 156724864
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(3-ethyl-1,4-dithian-2-yl)-(3-methylphenyl)methanamine
CID 113299656
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
CID 116937429
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine (CID 115790226) is 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine is Cc1cccc(C(N)C2CC3CC3C2)c1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine?
The InChIKey is FOVAJTHHIQWOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-9-3-2-4-10(5-9)14(15)13-7-11-6-12(11)8-13/h2-5,11-14H,6-8,15H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine?
3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine has a molecular weight of 201.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine is sourced from PubChem (CID 115790226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).