7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine

C16H18N2O — CID 174539453

IUPAC7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine
SMILESCNC1Cc2cccc(-c3ccc(CN)cc3)c2O1
InChIInChI=1S/C16H18N2O/c1-18-15-9-13-3-2-4-14(16(13)19-15)12-7-5-11(10-17)6-8-12/h2-8,15,18H,9-10,17H2,1H3
InChIKeyVRIXIOZXPCBELL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.29
Rot. Bonds3

About 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine

7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine (PubChem CID 174539453) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine.

Molecular Properties

Compound Name7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine
PubChem CID174539453
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine
SMILESCNC1Cc2cccc(-c3ccc(CN)cc3)c2O1
InChIInChI=1S/C16H18N2O/c1-18-15-9-13-3-2-4-14(16(13)19-15)12-7-5-11(10-17)6-8-12/h2-8,15,18H,9-10,17H2,1H3
InChIKeyVRIXIOZXPCBELL-UHFFFAOYSA-N
XLogP2.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine?
The IUPAC name of 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine (CID 174539453) is 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine.
What is the SMILES notation for 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine?
The canonical SMILES for 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine is CNC1Cc2cccc(-c3ccc(CN)cc3)c2O1.
What is the InChIKey of 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine?
The InChIKey is VRIXIOZXPCBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18-15-9-13-3-2-4-14(16(13)19-15)12-7-5-11(10-17)6-8-12/h2-8,15,18H,9-10,17H2,1H3.
What are the key properties of 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine?
7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine has a molecular weight of 254.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)phenyl]-N-methyl-2,3-dihydro-1-benzofuran-2-amine is sourced from PubChem (CID 174539453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).