N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine

C18H21NO — CID 63021469

IUPACN-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C18H21NO/c1-2-9-19-11-15-5-3-4-6-18(15)14-7-8-16-12-20-13-17(16)10-14/h3-8,10,19H,2,9,11-13H2,1H3
InChIKeyCOPXRFWOESZWQW-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.88
Rot. Bonds5

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

N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine (PubChem CID 63021469) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine
PubChem CID63021469
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C18H21NO/c1-2-9-19-11-15-5-3-4-6-18(15)14-7-8-16-12-20-13-17(16)10-14/h3-8,10,19H,2,9,11-13H2,1H3
InChIKeyCOPXRFWOESZWQW-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-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-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine
CID 63020950
N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
CID 63424634
N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine
CID 63424719
N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine
CID 81230157
N-[[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]methyl]propan-1-amine
CID 63425013
N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
CID 61032565
N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 55110548
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine
CID 81441574
N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424612
N-[[2-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424188
3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine
CID 156569114
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine
CID 63428115

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine (CID 63021469) is N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1-c1ccc2c(c1)COC2.
What is the InChIKey of N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine?
The InChIKey is COPXRFWOESZWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-9-19-11-15-5-3-4-6-18(15)14-7-8-16-12-20-13-17(16)10-14/h3-8,10,19H,2,9,11-13H2,1H3.
What are the key properties of N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine?
N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63021469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).