2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide

C16H20N2O2 — CID 81322313

IUPAC2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
SMILESCc1occc1CN(C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H20N2O2/c1-12-15(7-8-20-12)11-18(2)16(19)9-13-5-3-4-6-14(13)10-17/h3-8H,9-11,17H2,1-2H3
InChIKeyDPLXQZRSRMBJRO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.25
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide

2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide (PubChem CID 81322313) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
PubChem CID81322313
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
SMILESCc1occc1CN(C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H20N2O2/c1-12-15(7-8-20-12)11-18(2)16(19)9-13-5-3-4-6-14(13)10-17/h3-8H,9-11,17H2,1-2H3
InChIKeyDPLXQZRSRMBJRO-UHFFFAOYSA-N
XLogP2.25
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
CID 61426506
(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426369
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 104678002
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
2-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-oxoethoxy]acetic acid
CID 61426198
(E)-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 82238971
N-methyl-4-(methylamino)-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426651
2-(3-aminophenoxy)-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 61426808
N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287515

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide (CID 81322313) is 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide is Cc1occc1CN(C)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide?
The InChIKey is DPLXQZRSRMBJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-15(7-8-20-12)11-18(2)16(19)9-13-5-3-4-6-14(13)10-17/h3-8H,9-11,17H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide is sourced from PubChem (CID 81322313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).