N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

C18H21NO2 — CID 61016912

IUPACN-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCCCOc1cccc(CNc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H21NO2/c1-2-9-20-17-5-3-4-14(11-17)13-19-16-6-7-18-15(12-16)8-10-21-18/h3-7,11-12,19H,2,8-10,13H2,1H3
InChIKeyANMOULSJCKMBOJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds6

About N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 61016912) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID61016912
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCCCOc1cccc(CNc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H21NO2/c1-2-9-20-17-5-3-4-14(11-17)13-19-16-6-7-18-15(12-16)8-10-21-18/h3-7,11-12,19H,2,8-10,13H2,1H3
InChIKeyANMOULSJCKMBOJ-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine 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

N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-3-[(3-propoxyphenyl)methyl]guanidine
CID 111562984
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-methylsulfanyl-N-[(3-propoxyphenyl)methyl]aniline
CID 60961433
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43804284
3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698
3-[(3-propoxyphenyl)methylamino]benzamide
CID 61016518

Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 61016912) is N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is CCCOc1cccc(CNc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is ANMOULSJCKMBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-9-20-17-5-3-4-14(11-17)13-19-16-6-7-18-15(12-16)8-10-21-18/h3-7,11-12,19H,2,8-10,13H2,1H3.
What are the key properties of N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 283.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 61016912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).