[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine

C14H17FN2O — CID 61421488

IUPAC[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
SMILESCN(Cc1ccoc1)Cc1ccc(CN)cc1F
InChIInChI=1S/C14H17FN2O/c1-17(8-12-4-5-18-10-12)9-13-3-2-11(7-16)6-14(13)15/h2-6,10H,7-9,16H2,1H3
InChIKeyWCRPRSSOTIDWBA-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.51
Rot. Bonds5

About [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine

[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine (PubChem CID 61421488) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
PubChem CID61421488
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
SMILESCN(Cc1ccoc1)Cc1ccc(CN)cc1F
InChIInChI=1S/C14H17FN2O/c1-17(8-12-4-5-18-10-12)9-13-3-2-11(7-16)6-14(13)15/h2-6,10H,7-9,16H2,1H3
InChIKeyWCRPRSSOTIDWBA-UHFFFAOYSA-N
XLogP2.51
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 114011948
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 61414070
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
4-fluoro-3-[[furan-3-ylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 61422643
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
CID 43373913
[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
CID 107556500
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81059488
5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline
CID 61422466
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79303970
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
[4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213240

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine (CID 61421488) is [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine is CN(Cc1ccoc1)Cc1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine?
The InChIKey is WCRPRSSOTIDWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17(8-12-4-5-18-10-12)9-13-3-2-11(7-16)6-14(13)15/h2-6,10H,7-9,16H2,1H3.
What are the key properties of [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine?
[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine has a molecular weight of 248.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine is sourced from PubChem (CID 61421488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).