N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine

C18H26FN — CID 65007059

IUPACN-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
SMILESCCNCC1(c2cccc(F)c2)CC2(CCCCC2)C1
InChIInChI=1S/C18H26FN/c1-2-20-14-18(15-7-6-8-16(19)11-15)12-17(13-18)9-4-3-5-10-17/h6-8,11,20H,2-5,9-10,12-14H2,1H3
InChIKeyVWHKDBQUYBMKNE-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.42
Rot. Bonds4

About N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine

N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine (PubChem CID 65007059) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
PubChem CID65007059
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
SMILESCCNCC1(c2cccc(F)c2)CC2(CCCCC2)C1
InChIInChI=1S/C18H26FN/c1-2-20-14-18(15-7-6-8-16(19)11-15)12-17(13-18)9-4-3-5-10-17/h6-8,11,20H,2-5,9-10,12-14H2,1H3
InChIKeyVWHKDBQUYBMKNE-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.42
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-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008662
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine
CID 80522715
N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
CID 62595738
N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
CID 65003229
N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997970
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821
N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine
CID 64998074
1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53321082
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008765

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine (CID 65007059) is N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine is CCNCC1(c2cccc(F)c2)CC2(CCCCC2)C1.
What is the InChIKey of N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine?
The InChIKey is VWHKDBQUYBMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-2-20-14-18(15-7-6-8-16(19)11-15)12-17(13-18)9-4-3-5-10-17/h6-8,11,20H,2-5,9-10,12-14H2,1H3.
What are the key properties of N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine?
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine has a molecular weight of 275.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine is sourced from PubChem (CID 65007059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).