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

C17H24FN — CID 65009555

IUPACN-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2)CC2(CCC2)C1
InChIInChI=1S/C17H24FN/c1-13(2)19-12-17(10-16(11-17)8-3-9-16)14-4-6-15(18)7-5-14/h4-7,13,19H,3,8-12H2,1-2H3
InChIKeyJYLJTZSYSIJDGP-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.03
Rot. Bonds4

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

N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine (PubChem CID 65009555) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
PubChem CID65009555
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2)CC2(CCC2)C1
InChIInChI=1S/C17H24FN/c1-13(2)19-12-17(10-16(11-17)8-3-9-16)14-4-6-15(18)7-5-14/h4-7,13,19H,3,8-12H2,1-2H3
InChIKeyJYLJTZSYSIJDGP-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225
N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine
CID 65006722
N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine
CID 65353248
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009606
N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
CID 80525541
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65003672
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine (CID 65009555) is N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine is CC(C)NCC1(c2ccc(F)cc2)CC2(CCC2)C1.
What is the InChIKey of N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine?
The InChIKey is JYLJTZSYSIJDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-13(2)19-12-17(10-16(11-17)8-3-9-16)14-4-6-15(18)7-5-14/h4-7,13,19H,3,8-12H2,1-2H3.
What are the key properties of N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine?
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine has a molecular weight of 261.38 g/mol, XLogP of 4.03, 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]propan-2-amine is sourced from PubChem (CID 65009555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).