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

C18H21NO — CID 43198470

IUPAC2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H21NO/c1-12(2)13-3-5-14(6-4-13)18(19)16-7-8-17-15(11-16)9-10-20-17/h3-8,11-12,18H,9-10,19H2,1-2H3
InChIKeyIHQWXYWVAVERNQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.79
Rot. Bonds3

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

2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine (PubChem CID 43198470) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
PubChem CID43198470
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H21NO/c1-12(2)13-3-5-14(6-4-13)18(19)16-7-8-17-15(11-16)9-10-20-17/h3-8,11-12,18H,9-10,19H2,1-2H3
InChIKeyIHQWXYWVAVERNQ-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methanamine
CID 43464379
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
CID 115604905

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine (CID 43198470) is 2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(C(N)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine?
The InChIKey is IHQWXYWVAVERNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12(2)13-3-5-14(6-4-13)18(19)16-7-8-17-15(11-16)9-10-20-17/h3-8,11-12,18H,9-10,19H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine?
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 43198470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).