2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline

C15H20N2O — CID 62307943

IUPAC2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1ccc(CN)c(N(C)Cc2ccoc2C)c1
InChIInChI=1S/C15H20N2O/c1-11-4-5-13(9-16)15(8-11)17(3)10-14-6-7-18-12(14)2/h4-8H,9-10,16H2,1-3H3
InChIKeyZVPAHMMLMSEBBN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.99
Rot. Bonds4

About 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline

2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline (PubChem CID 62307943) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline
PubChem CID62307943
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1ccc(CN)c(N(C)Cc2ccoc2C)c1
InChIInChI=1S/C15H20N2O/c1-11-4-5-13(9-16)15(8-11)17(3)10-14-6-7-18-12(14)2/h4-8H,9-10,16H2,1-3H3
InChIKeyZVPAHMMLMSEBBN-UHFFFAOYSA-N
XLogP2.99
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline (CID 62307943) is 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline is Cc1ccc(CN)c(N(C)Cc2ccoc2C)c1.
What is the InChIKey of 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The InChIKey is ZVPAHMMLMSEBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-4-5-13(9-16)15(8-11)17(3)10-14-6-7-18-12(14)2/h4-8H,9-10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline?
2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline is sourced from PubChem (CID 62307943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).