N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine

C17H23ClFN — CID 115984266

IUPACN-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cccc(F)c2Cl)CC2CC2C1
InChIInChI=1S/C17H23ClFN/c1-11(2)20-10-17(8-13-6-14(13)9-17)7-12-4-3-5-15(19)16(12)18/h3-5,11,13-14,20H,6-10H2,1-2H3
InChIKeyNNXDSEURPFIGJL-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.44
Rot. Bonds5

About N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine

N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine (PubChem CID 115984266) has the molecular formula C17H23ClFN and a molecular weight of 295.83 g/mol. Its IUPAC name is N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
PubChem CID115984266
Molecular FormulaC17H23ClFN
Molecular Weight295.83 g/mol
Exact Mass295.15
IUPAC NameN-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cccc(F)c2Cl)CC2CC2C1
InChIInChI=1S/C17H23ClFN/c1-11(2)20-10-17(8-13-6-14(13)9-17)7-12-4-3-5-15(19)16(12)18/h3-5,11,13-14,20H,6-10H2,1-2H3
InChIKeyNNXDSEURPFIGJL-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 112654253
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
CID 105408472
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
[3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol
CID 107310746
N-[[2-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 115984729
4-(2-chloro-3-fluorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 112655054
1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104794738
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 114858583
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine (CID 115984266) is N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine is CC(C)NCC1(Cc2cccc(F)c2Cl)CC2CC2C1.
What is the InChIKey of N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
The InChIKey is NNXDSEURPFIGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN/c1-11(2)20-10-17(8-13-6-14(13)9-17)7-12-4-3-5-15(19)16(12)18/h3-5,11,13-14,20H,6-10H2,1-2H3.
What are the key properties of N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine has a molecular weight of 295.83 g/mol, XLogP of 4.44, 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-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine is sourced from PubChem (CID 115984266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).