N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine

C15H23FN2 — CID 114068086

IUPACN-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(F)c1N1CCCC1
InChIInChI=1S/C15H23FN2/c1-12(2)10-17-11-13-6-5-7-14(16)15(13)18-8-3-4-9-18/h5-7,12,17H,3-4,8-11H2,1-2H3
InChIKeyNHUBPJCFLUNSKO-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.17
Rot. Bonds5

About N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine

N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 114068086) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine
PubChem CID114068086
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(F)c1N1CCCC1
InChIInChI=1S/C15H23FN2/c1-12(2)10-17-11-13-6-5-7-14(16)15(13)18-8-3-4-9-18/h5-7,12,17H,3-4,8-11H2,1-2H3
InChIKeyNHUBPJCFLUNSKO-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine (CID 114068086) is N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(F)c1N1CCCC1.
What is the InChIKey of N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is NHUBPJCFLUNSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(2)10-17-11-13-6-5-7-14(16)15(13)18-8-3-4-9-18/h5-7,12,17H,3-4,8-11H2,1-2H3.
What are the key properties of N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114068086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).