4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

C15H25FN4 — CID 105389860

IUPAC4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCCNCc1ccnc(N(C)CC2CCN(C)C2)c1F
InChIInChI=1S/C15H25FN4/c1-4-17-9-13-5-7-18-15(14(13)16)20(3)11-12-6-8-19(2)10-12/h5,7,12,17H,4,6,8-11H2,1-3H3
InChIKeyUILWHCJJBBLBRY-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.72
Rot. Bonds6

About 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 105389860) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID105389860
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCCNCc1ccnc(N(C)CC2CCN(C)C2)c1F
InChIInChI=1S/C15H25FN4/c1-4-17-9-13-5-7-18-15(14(13)16)20(3)11-12-6-8-19(2)10-12/h5,7,12,17H,4,6,8-11H2,1-3H3
InChIKeyUILWHCJJBBLBRY-UHFFFAOYSA-N
XLogP1.72
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389902
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105390010
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-propan-2-ylpyridin-2-amine
CID 105389642
5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 63274318
N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105390723
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63274229
3-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 105389734
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390420
N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389439

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 105389860) is 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is CCNCc1ccnc(N(C)CC2CCN(C)C2)c1F.
What is the InChIKey of 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is UILWHCJJBBLBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-4-17-9-13-5-7-18-15(14(13)16)20(3)11-12-6-8-19(2)10-12/h5,7,12,17H,4,6,8-11H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 280.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 105389860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).