N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine

C19H21NO — CID 81038290

IUPACN-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine
SMILESCCCNCCc1coc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C19H21NO/c1-2-11-20-12-10-17-14-21-19-9-8-16(13-18(17)19)15-6-4-3-5-7-15/h3-9,13-14,20H,2,10-12H2,1H3
InChIKeyFQKKOTSRRAQBJB-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.64
Rot. Bonds6

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

N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine (PubChem CID 81038290) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine
PubChem CID81038290
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine
SMILESCCCNCCc1coc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C19H21NO/c1-2-11-20-12-10-17-14-21-19-9-8-16(13-18(17)19)15-6-4-3-5-7-15/h3-9,13-14,20H,2,10-12H2,1H3
InChIKeyFQKKOTSRRAQBJB-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]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-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine
CID 81035436
N-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81048608
N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048090
N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81041074
3,5-diphenyl-1-benzofuran
CID 66988357
N-[2-(6,7-difluoro-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81049785
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
(6-phenyl-1-benzofuran-3-yl)methanol
CID 22062787
N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81048081
N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]-2-phenylacetamide
CID 15354942
7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 143904980
1-methyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]thiourea
CID 139699439

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine (CID 81038290) is N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine is CCCNCCc1coc2ccc(-c3ccccc3)cc12.
What is the InChIKey of N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine?
The InChIKey is FQKKOTSRRAQBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-11-20-12-10-17-14-21-19-9-8-16(13-18(17)19)15-6-4-3-5-7-15/h3-9,13-14,20H,2,10-12H2,1H3.
What are the key properties of N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine?
N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81038290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).