N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine

C19H23NO — CID 79218781

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
SMILESCC(CCNCC1COc2ccccc21)c1ccccc1
InChIInChI=1S/C19H23NO/c1-15(16-7-3-2-4-8-16)11-12-20-13-17-14-21-19-10-6-5-9-18(17)19/h2-10,15,17,20H,11-14H2,1H3
InChIKeyRPYKFRWHBMUMGV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.95
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine (PubChem CID 79218781) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
PubChem CID79218781
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
SMILESCC(CCNCC1COc2ccccc21)c1ccccc1
InChIInChI=1S/C19H23NO/c1-15(16-7-3-2-4-8-16)11-12-20-13-17-14-21-19-10-6-5-9-18(17)19/h2-10,15,17,20H,11-14H2,1H3
InChIKeyRPYKFRWHBMUMGV-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
CID 113497582
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol
CID 114163594
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol
CID 79226740
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine (CID 79218781) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine is CC(CCNCC1COc2ccccc21)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine?
The InChIKey is RPYKFRWHBMUMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(16-7-3-2-4-8-16)11-12-20-13-17-14-21-19-10-6-5-9-18(17)19/h2-10,15,17,20H,11-14H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine is sourced from PubChem (CID 79218781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).