N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

C17H21ClFN — CID 102619984

IUPACN-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)c(CC2(CNC3CC3)CC3CC3C2)c1
InChIInChI=1S/C17H21ClFN/c18-16-4-1-14(19)6-13(16)9-17(10-20-15-2-3-15)7-11-5-12(11)8-17/h1,4,6,11-12,15,20H,2-3,5,7-10H2
InChIKeyUMZXYKFJUXILOA-UHFFFAOYSA-N
MW293.81 g/mol
LogP4.19
Rot. Bonds5

About N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (PubChem CID 102619984) has the molecular formula C17H21ClFN and a molecular weight of 293.81 g/mol. Its IUPAC name is N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
PubChem CID102619984
Molecular FormulaC17H21ClFN
Molecular Weight293.81 g/mol
Exact Mass293.13
IUPAC NameN-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)c(CC2(CNC3CC3)CC3CC3C2)c1
InChIInChI=1S/C17H21ClFN/c18-16-4-1-14(19)6-13(16)9-17(10-20-15-2-3-15)7-11-5-12(11)8-17/h1,4,6,11-12,15,20H,2-3,5,7-10H2
InChIKeyUMZXYKFJUXILOA-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 107897555
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919
1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 114013906
4-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 102616799
N-[[3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62717882
N-[(2-chloro-5-fluorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123298
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906967
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797
N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026019
[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 102621042
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (CID 102619984) is N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is Fc1ccc(Cl)c(CC2(CNC3CC3)CC3CC3C2)c1.
What is the InChIKey of N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The InChIKey is UMZXYKFJUXILOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN/c18-16-4-1-14(19)6-13(16)9-17(10-20-15-2-3-15)7-11-5-12(11)8-17/h1,4,6,11-12,15,20H,2-3,5,7-10H2.
What are the key properties of N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine has a molecular weight of 293.81 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is sourced from PubChem (CID 102619984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).