N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

C18H21NO — CID 43757036

IUPACN-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCCC(NCc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-2-17(19-13-14-6-4-3-5-7-14)15-8-9-18-16(12-15)10-11-20-18/h3-9,12,17,19H,2,10-11,13H2,1H3
InChIKeyOQAYPMSUKCFPHK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.86
Rot. Bonds5

About N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (PubChem CID 43757036) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
PubChem CID43757036
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCCC(NCc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-2-17(19-13-14-6-4-3-5-7-14)15-8-9-18-16(12-15)10-11-20-18/h3-9,12,17,19H,2,10-11,13H2,1H3
InChIKeyOQAYPMSUKCFPHK-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 97323098
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43754954
1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine
CID 43804336
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
CID 106391529
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114955137
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 115712953

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (CID 43757036) is N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is CCC(NCc1ccccc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is OQAYPMSUKCFPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-17(19-13-14-6-4-3-5-7-14)15-8-9-18-16(12-15)10-11-20-18/h3-9,12,17,19H,2,10-11,13H2,1H3.
What are the key properties of N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 43757036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).