[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine

C13H19FN2 — CID 102814167

IUPAC[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine
SMILESCC1(C)CCN(c2cc(F)cc(CN)c2)C1
InChIInChI=1S/C13H19FN2/c1-13(2)3-4-16(9-13)12-6-10(8-15)5-11(14)7-12/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyKFANKWXFMQPROQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.52
Rot. Bonds2

About [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine

[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine (PubChem CID 102814167) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine
PubChem CID102814167
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine
SMILESCC1(C)CCN(c2cc(F)cc(CN)c2)C1
InChIInChI=1S/C13H19FN2/c1-13(2)3-4-16(9-13)12-6-10(8-15)5-11(14)7-12/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyKFANKWXFMQPROQ-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 106532936
(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283
2-[3-(4,4-dimethylazepan-1-yl)-5-fluorophenyl]ethanamine
CID 106532861
1-[4-[3-(aminomethyl)-5-fluorophenyl]piperazin-1-yl]ethanone
CID 102813334
1-[4-[3-(aminomethyl)-5-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 102813773
1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide
CID 102813342
2-[3-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-fluorophenyl]ethanamine
CID 107459844
[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine
CID 102814339
[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 102813357
4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one
CID 102813310
[3-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]methanol
CID 106529884
1-[4-(bromomethyl)-2,6-difluorophenyl]-3,3-dimethylpyrrolidine
CID 107084575

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine (CID 102814167) is [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine is CC1(C)CCN(c2cc(F)cc(CN)c2)C1.
What is the InChIKey of [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine?
The InChIKey is KFANKWXFMQPROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-13(2)3-4-16(9-13)12-6-10(8-15)5-11(14)7-12/h5-7H,3-4,8-9,15H2,1-2H3.
What are the key properties of [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine?
[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 102814167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).