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

C14H17ClFN — CID 112654253

IUPAC[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESNCC1(Cc2cccc(F)c2Cl)CC2CC2C1
InChIInChI=1S/C14H17ClFN/c15-13-9(2-1-3-12(13)16)5-14(8-17)6-10-4-11(10)7-14/h1-3,10-11H,4-8,17H2
InChIKeyLOFNDNCVAOWBCM-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.40
Rot. Bonds3

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

[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine (PubChem CID 112654253) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine.

Molecular Properties

Compound Name[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
PubChem CID112654253
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC Name[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESNCC1(Cc2cccc(F)c2Cl)CC2CC2C1
InChIInChI=1S/C14H17ClFN/c15-13-9(2-1-3-12(13)16)5-14(8-17)6-10-4-11(10)7-14/h1-3,10-11H,4-8,17H2
InChIKeyLOFNDNCVAOWBCM-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine with MolForge

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Related Compounds

[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
CID 115984266
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
[3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol
CID 107310746
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
CID 115984672
1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 112653080
1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961208
3-(bromomethyl)-3-[(5-chloro-2-fluorophenyl)methyl]bicyclo[3.1.0]hexane
CID 103051394

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The IUPAC name of [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine (CID 112654253) is [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine.
What is the SMILES notation for [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The canonical SMILES for [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine is NCC1(Cc2cccc(F)c2Cl)CC2CC2C1.
What is the InChIKey of [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The InChIKey is LOFNDNCVAOWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN/c15-13-9(2-1-3-12(13)16)5-14(8-17)6-10-4-11(10)7-14/h1-3,10-11H,4-8,17H2.
What are the key properties of [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine has a molecular weight of 253.75 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine is sourced from PubChem (CID 112654253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).