N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine

C17H24FN — CID 115791823

IUPACN-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)C1C2CCCCC21
InChIInChI=1S/C17H24FN/c1-2-10-19-17(12-6-5-7-13(18)11-12)16-14-8-3-4-9-15(14)16/h5-7,11,14-17,19H,2-4,8-10H2,1H3
InChIKeyPOSIUKJZAODMIO-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.30
Rot. Bonds5

About N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine

N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 115791823) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID115791823
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)C1C2CCCCC21
InChIInChI=1S/C17H24FN/c1-2-10-19-17(12-6-5-7-13(18)11-12)16-14-8-3-4-9-15(14)16/h5-7,11,14-17,19H,2-4,8-10H2,1H3
InChIKeyPOSIUKJZAODMIO-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829
N-[6-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850627
N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018978
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115791948
N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
CID 115789774
N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811298
N-[(3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622794
N-[7-bicyclo[4.1.0]heptanyl-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851206
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 105092704
N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107515369
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine (CID 115791823) is N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)C1C2CCCCC21.
What is the InChIKey of N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is POSIUKJZAODMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-2-10-19-17(12-6-5-7-13(18)11-12)16-14-8-3-4-9-15(14)16/h5-7,11,14-17,19H,2-4,8-10H2,1H3.
What are the key properties of N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine?
N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 261.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115791823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).