N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine

C17H22FN — CID 65009606

IUPACN-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(C2(CNC3CC3)CC3(CCC3)C2)cc1
InChIInChI=1S/C17H22FN/c18-14-4-2-13(3-5-14)17(12-19-15-6-7-15)10-16(11-17)8-1-9-16/h2-5,15,19H,1,6-12H2
InChIKeyYFNHOMIPRCWNEC-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.78
Rot. Bonds4

About N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine

N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine (PubChem CID 65009606) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
PubChem CID65009606
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC NameN-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(C2(CNC3CC3)CC3(CCC3)C2)cc1
InChIInChI=1S/C17H22FN/c18-14-4-2-13(3-5-14)17(12-19-15-6-7-15)10-16(11-17)8-1-9-16/h2-5,15,19H,1,6-12H2
InChIKeyYFNHOMIPRCWNEC-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009127
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
CID 65009555
N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008561
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009010
N-[[2-(4-bromophenyl)-7-oxaspiro[3.5]nonan-2-yl]methyl]cyclopropanamine
CID 65006458
N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65003222
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399
N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 64997710
N-[[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 82806742

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine (CID 65009606) is N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine is Fc1ccc(C2(CNC3CC3)CC3(CCC3)C2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The InChIKey is YFNHOMIPRCWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c18-14-4-2-13(3-5-14)17(12-19-15-6-7-15)10-16(11-17)8-1-9-16/h2-5,15,19H,1,6-12H2.
What are the key properties of N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine has a molecular weight of 259.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65009606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).