N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine

C17H23F2N — CID 105408472

IUPACN-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cc(F)cc(F)c2)CC2CC2C1
InChIInChI=1S/C17H23F2N/c1-11(2)20-10-17(8-13-5-14(13)9-17)7-12-3-15(18)6-16(19)4-12/h3-4,6,11,13-14,20H,5,7-10H2,1-2H3
InChIKeyKTESRUHXVUZKNK-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.92
Rot. Bonds5

About N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine

N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine (PubChem CID 105408472) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
PubChem CID105408472
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC NameN-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cc(F)cc(F)c2)CC2CC2C1
InChIInChI=1S/C17H23F2N/c1-11(2)20-10-17(8-13-5-14(13)9-17)7-12-3-15(18)6-16(19)4-12/h3-4,6,11,13-14,20H,5,7-10H2,1-2H3
InChIKeyKTESRUHXVUZKNK-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine with MolForge

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Related Compounds

3-(bromomethyl)-3-[(3,5-difluorophenyl)methyl]bicyclo[3.1.0]hexane
CID 105410994
N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
CID 115984266
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine
CID 65017352
N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65195002
3-[(3,5-difluorophenyl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 105404818
1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 114013906
N-[[1-(3,5-difluorophenoxy)cyclopropyl]methyl]propan-2-amine
CID 114199534
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 107897555
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64666039
N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194269

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine (CID 105408472) is N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine is CC(C)NCC1(Cc2cc(F)cc(F)c2)CC2CC2C1.
What is the InChIKey of N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
The InChIKey is KTESRUHXVUZKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c1-11(2)20-10-17(8-13-5-14(13)9-17)7-12-3-15(18)6-16(19)4-12/h3-4,6,11,13-14,20H,5,7-10H2,1-2H3.
What are the key properties of N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine has a molecular weight of 279.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-difluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine is sourced from PubChem (CID 105408472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).