3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine

C13H16FN — CID 115828090

IUPAC3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine
SMILESNC(c1ccccc1F)C1CC2CC2C1
InChIInChI=1S/C13H16FN/c14-12-4-2-1-3-11(12)13(15)10-6-8-5-9(8)7-10/h1-4,8-10,13H,5-7,15H2
InChIKeyPRCUMMJTHHEHOA-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.87
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine

3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine (PubChem CID 115828090) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine
PubChem CID115828090
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine
SMILESNC(c1ccccc1F)C1CC2CC2C1
InChIInChI=1S/C13H16FN/c14-12-4-2-1-3-11(12)13(15)10-6-8-5-9(8)7-10/h1-4,8-10,13H,5-7,15H2
InChIKeyPRCUMMJTHHEHOA-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(2-fluorophenyl)-(thian-4-yl)methanamine
CID 82391625
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938812
(2,3-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410517
(2-fluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107188100
1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine
CID 105119564
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine (CID 115828090) is 3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine is NC(c1ccccc1F)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine?
The InChIKey is PRCUMMJTHHEHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-4-2-1-3-11(12)13(15)10-6-8-5-9(8)7-10/h1-4,8-10,13H,5-7,15H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine?
3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine has a molecular weight of 205.28 g/mol, XLogP of 2.87, 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-(2-fluorophenyl)methanamine is sourced from PubChem (CID 115828090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).