[5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

C18H21NO — CID 104703353

IUPAC[5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCCCc1ccc(-c2cc(CN)c3c(c2)CCO3)cc1
InChIInChI=1S/C18H21NO/c1-2-3-13-4-6-14(7-5-13)16-10-15-8-9-20-18(15)17(11-16)12-19/h4-7,10-11H,2-3,8-9,12,19H2,1H3
InChIKeyXLRROTLHMGOAPG-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.70
Rot. Bonds4

About [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

[5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (PubChem CID 104703353) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
PubChem CID104703353
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCCCc1ccc(-c2cc(CN)c3c(c2)CCO3)cc1
InChIInChI=1S/C18H21NO/c1-2-3-13-4-6-14(7-5-13)16-10-15-8-9-20-18(15)17(11-16)12-19/h4-7,10-11H,2-3,8-9,12,19H2,1H3
InChIKeyXLRROTLHMGOAPG-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703299
[5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703447
[5-(3,4,5-trifluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703330
[5-(2,4,5-trifluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703413
[5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 113443092
[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703465
[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703426
[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 102708645
[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine
CID 114997571
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424

Frequently Asked Questions

What is the IUPAC name of [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The IUPAC name of [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (CID 104703353) is [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is CCCc1ccc(-c2cc(CN)c3c(c2)CCO3)cc1.
What is the InChIKey of [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The InChIKey is XLRROTLHMGOAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-3-13-4-6-14(7-5-13)16-10-15-8-9-20-18(15)17(11-16)12-19/h4-7,10-11H,2-3,8-9,12,19H2,1H3.
What are the key properties of [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
[5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 104703353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).