1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine

C19H23NO — CID 115849427

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1ccc2c(c1)COC2
InChIInChI=1S/C19H23NO/c1-20-19(9-5-8-15-6-3-2-4-7-15)16-10-11-17-13-21-14-18(17)12-16/h2-4,6-7,10-12,19-20H,5,8-9,13-14H2,1H3
InChIKeyFITJNKJQXSYSHB-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.00
Rot. Bonds6

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 115849427) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
PubChem CID115849427
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1ccc2c(c1)COC2
InChIInChI=1S/C19H23NO/c1-20-19(9-5-8-15-6-3-2-4-7-15)16-10-11-17-13-21-14-18(17)12-16/h2-4,6-7,10-12,19-20H,5,8-9,13-14H2,1H3
InChIKeyFITJNKJQXSYSHB-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 115856930
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 62606227
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 107503560
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
N-methyl-4-phenyl-1-pyridazin-4-ylbutan-1-amine
CID 105139889
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 63021279
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine (CID 115849427) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine is CNC(CCCc1ccccc1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is FITJNKJQXSYSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-20-19(9-5-8-15-6-3-2-4-7-15)16-10-11-17-13-21-14-18(17)12-16/h2-4,6-7,10-12,19-20H,5,8-9,13-14H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 115849427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).