N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine

C27H29NO — CID 176731867

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)N(CC=Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C27H29NO/c1-21(2)28(20-23-12-15-27-26(19-23)16-18-29-27)17-6-7-22-10-13-25(14-11-22)24-8-4-3-5-9-24/h3-15,19,21H,16-18,20H2,1-2H3
InChIKeyYPEMQUIDQSTUMR-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.21
Rot. Bonds7

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 176731867) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID176731867
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)N(CC=Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C27H29NO/c1-21(2)28(20-23-12-15-27-26(19-23)16-18-29-27)17-6-7-22-10-13-25(14-11-22)24-8-4-3-5-9-24/h3-15,19,21H,16-18,20H2,1-2H3
InChIKeyYPEMQUIDQSTUMR-UHFFFAOYSA-N
XLogP6.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine with MolForge

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
CID 176731854
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine
CID 176731852
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propan-2-ylamino]propanoic acid
CID 65446593
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propan-2-ylamino]butanoic acid
CID 65446594
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine (CID 176731867) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine is CC(C)N(CC=Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is YPEMQUIDQSTUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-21(2)28(20-23-12-15-27-26(19-23)16-18-29-27)17-6-7-22-10-13-25(14-11-22)24-8-4-3-5-9-24/h3-15,19,21H,16-18,20H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 383.54 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 176731867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).