N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine

C12H18FN3 — CID 61312935

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
SMILESCCN1CCCC1CNc1ccc(F)cn1
InChIInChI=1S/C12H18FN3/c1-2-16-7-3-4-11(16)9-15-12-6-5-10(13)8-14-12/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyCJCGNRZUFVNZNA-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.12
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine (PubChem CID 61312935) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
PubChem CID61312935
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
SMILESCCN1CCCC1CNc1ccc(F)cn1
InChIInChI=1S/C12H18FN3/c1-2-16-7-3-4-11(16)9-15-12-6-5-10(13)8-14-12/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyCJCGNRZUFVNZNA-UHFFFAOYSA-N
XLogP2.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026754
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 28819878
[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 131923003
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
N-(cyclopropylmethyl)-5-fluoropyridin-2-amine
CID 61313730
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294689
5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 143313007
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile
CID 63673607

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine (CID 61312935) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine is CCN1CCCC1CNc1ccc(F)cn1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine?
The InChIKey is CJCGNRZUFVNZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-2-16-7-3-4-11(16)9-15-12-6-5-10(13)8-14-12/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 61312935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).