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

C15H20N2O2 — CID 81300114

IUPAC2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCOc1ccc(CN)c(N(C)Cc2ccoc2C)c1
InChIInChI=1S/C15H20N2O2/c1-11-13(6-7-19-11)10-17(2)15-8-14(18-3)5-4-12(15)9-16/h4-8H,9-10,16H2,1-3H3
InChIKeyIRQWNZDHPXFNQN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.69
Rot. Bonds5

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

2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (PubChem CID 81300114) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
PubChem CID81300114
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCOc1ccc(CN)c(N(C)Cc2ccoc2C)c1
InChIInChI=1S/C15H20N2O2/c1-11-13(6-7-19-11)10-17(2)15-8-14(18-3)5-4-12(15)9-16/h4-8H,9-10,16H2,1-3H3
InChIKeyIRQWNZDHPXFNQN-UHFFFAOYSA-N
XLogP2.69
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 62307943
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 81299989
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine
CID 63672007
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 61426224
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
CID 81299175
2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81298982
2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114068254
2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
CID 61426229
2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
CID 81298979

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (CID 81300114) is 2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is COc1ccc(CN)c(N(C)Cc2ccoc2C)c1.
What is the InChIKey of 2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The InChIKey is IRQWNZDHPXFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-13(6-7-19-11)10-17(2)15-8-14(18-3)5-4-12(15)9-16/h4-8H,9-10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline has a molecular weight of 260.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is sourced from PubChem (CID 81300114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).