(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine

C19H23NO — CID 115481937

IUPAC(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc3c(c2)COC3)cc1CC
InChIInChI=1S/C19H23NO/c1-3-13-5-6-15(9-14(13)4-2)19(20)16-7-8-17-11-21-12-18(17)10-16/h5-10,19H,3-4,11-12,20H2,1-2H3
InChIKeyBFPFVPJXBMHJAW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.89
Rot. Bonds4

About (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine

(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine (PubChem CID 115481937) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
PubChem CID115481937
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc3c(c2)COC3)cc1CC
InChIInChI=1S/C19H23NO/c1-3-13-5-6-15(9-14(13)4-2)19(20)16-7-8-17-11-21-12-18(17)10-16/h5-10,19H,3-4,11-12,20H2,1-2H3
InChIKeyBFPFVPJXBMHJAW-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044016
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951
1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
CID 63020921
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
CID 115857588
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 55231459

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The IUPAC name of (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine (CID 115481937) is (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine.
What is the SMILES notation for (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The canonical SMILES for (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine is CCc1ccc(C(N)c2ccc3c(c2)COC3)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The InChIKey is BFPFVPJXBMHJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-13-5-6-15(9-14(13)4-2)19(20)16-7-8-17-11-21-12-18(17)10-16/h5-10,19H,3-4,11-12,20H2,1-2H3.
What are the key properties of (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine?
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine is sourced from PubChem (CID 115481937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).