[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine

C17H20N2O — CID 115213219

IUPAC[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
SMILESNCc1ccc(CNCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H20N2O/c18-10-13-1-3-14(4-2-13)11-19-12-15-5-6-17-16(9-15)7-8-20-17/h1-6,9,19H,7-8,10-12,18H2
InChIKeyDFOJFFNKSYQKQD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.37
Rot. Bonds5

About [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine

[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine (PubChem CID 115213219) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
PubChem CID115213219
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
SMILESNCc1ccc(CNCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H20N2O/c18-10-13-1-3-14(4-2-13)11-19-12-15-5-6-17-16(9-15)7-8-20-17/h1-6,9,19H,7-8,10-12,18H2
InChIKeyDFOJFFNKSYQKQD-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 55037976
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-2-ol
CID 115121424
3-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]phenyl]propan-1-amine
CID 143299498
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 113245808
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351788

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine?
The IUPAC name of [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine (CID 115213219) is [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine is NCc1ccc(CNCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine?
The InChIKey is DFOJFFNKSYQKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-10-13-1-3-14(4-2-13)11-19-12-15-5-6-17-16(9-15)7-8-20-17/h1-6,9,19H,7-8,10-12,18H2.
What are the key properties of [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine?
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine is sourced from PubChem (CID 115213219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).