N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine

C18H21NO — CID 66360372

IUPACN-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
SMILESCc1ccc2c(c1)CC(CNCCc1ccccc1)O2
InChIInChI=1S/C18H21NO/c1-14-7-8-18-16(11-14)12-17(20-18)13-19-10-9-15-5-3-2-4-6-15/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeyRIQSBEUBQXJKCZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.13
Rot. Bonds5

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

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine (PubChem CID 66360372) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
PubChem CID66360372
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
SMILESCc1ccc2c(c1)CC(CNCCc1ccccc1)O2
InChIInChI=1S/C18H21NO/c1-14-7-8-18-16(11-14)12-17(20-18)13-19-10-9-15-5-3-2-4-6-15/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeyRIQSBEUBQXJKCZ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 66361339
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine
CID 66361170
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106416267
4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 106841886
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
N-[(2-ethylphenyl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66360586
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064
N',N'-diethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66361145
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]propanamide
CID 66361152
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106429606

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine (CID 66360372) is N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine is Cc1ccc2c(c1)CC(CNCCc1ccccc1)O2.
What is the InChIKey of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine?
The InChIKey is RIQSBEUBQXJKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-7-8-18-16(11-14)12-17(20-18)13-19-10-9-15-5-3-2-4-6-15/h2-8,11,17,19H,9-10,12-13H2,1H3.
What are the key properties of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine?
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 66360372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).