N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine

C14H18FN3O — CID 105389589

IUPACN-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
SMILESCCN(Cc1ccco1)c1nccc(CNC)c1F
InChIInChI=1S/C14H18FN3O/c1-3-18(10-12-5-4-8-19-12)14-13(15)11(9-16-2)6-7-17-14/h4-8,16H,3,9-10H2,1-2H3
InChIKeyBDBCNWMMMVEQFX-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.56
Rot. Bonds6

About N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine

N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 105389589) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
PubChem CID105389589
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
SMILESCCN(Cc1ccco1)c1nccc(CNC)c1F
InChIInChI=1S/C14H18FN3O/c1-3-18(10-12-5-4-8-19-12)14-13(15)11(9-16-2)6-7-17-14/h4-8,16H,3,9-10H2,1-2H3
InChIKeyBDBCNWMMMVEQFX-UHFFFAOYSA-N
XLogP2.56
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
CID 62288315
N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 105383463
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62288133
N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
CID 105389718
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80896459
6-N,8-N-diethyl-8-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80780048
8-N-ethyl-8-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80795560
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62287774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine (CID 105389589) is N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine is CCN(Cc1ccco1)c1nccc(CNC)c1F.
What is the InChIKey of N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is BDBCNWMMMVEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-18(10-12-5-4-8-19-12)14-13(15)11(9-16-2)6-7-17-14/h4-8,16H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine?
N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 105389589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).