[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine

C14H18N2O — CID 115213024

IUPAC[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
SMILESCc1ccc(CNCc2cccc(CN)c2)o1
InChIInChI=1S/C14H18N2O/c1-11-5-6-14(17-11)10-16-9-13-4-2-3-12(7-13)8-15/h2-7,16H,8-10,15H2,1H3
InChIKeyBYYLDMBZOMRZKM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.34
Rot. Bonds5

About [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine

[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine (PubChem CID 115213024) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
PubChem CID115213024
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
SMILESCc1ccc(CNCc2cccc(CN)c2)o1
InChIInChI=1S/C14H18N2O/c1-11-5-6-14(17-11)10-16-9-13-4-2-3-12(7-13)8-15/h2-7,16H,8-10,15H2,1H3
InChIKeyBYYLDMBZOMRZKM-UHFFFAOYSA-N
XLogP2.34
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-(3-nitrophenyl)methanamine
CID 62504349
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
CID 115212992
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 107038302
N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62347076
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717

Frequently Asked Questions

What is the IUPAC name of [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine?
The IUPAC name of [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine (CID 115213024) is [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine.
What is the SMILES notation for [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine?
The canonical SMILES for [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine is Cc1ccc(CNCc2cccc(CN)c2)o1.
What is the InChIKey of [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine?
The InChIKey is BYYLDMBZOMRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-5-6-14(17-11)10-16-9-13-4-2-3-12(7-13)8-15/h2-7,16H,8-10,15H2,1H3.
What are the key properties of [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine?
[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine is sourced from PubChem (CID 115213024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).