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

C17H19NO — CID 43198444

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H19NO/c1-11-7-12(2)9-15(8-11)17(18)14-3-4-16-13(10-14)5-6-19-16/h3-4,7-10,17H,5-6,18H2,1-2H3
InChIKeyQRRZZEQBMKSZAL-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.29
Rot. Bonds2

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

2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine (PubChem CID 43198444) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
PubChem CID43198444
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H19NO/c1-11-7-12(2)9-15(8-11)17(18)14-3-4-16-13(10-14)5-6-19-16/h3-4,7-10,17H,5-6,18H2,1-2H3
InChIKeyQRRZZEQBMKSZAL-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methanamine
CID 43464379
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237495
2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine
CID 106791668
2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
CID 115604905
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine (CID 43198444) is 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine?
The InChIKey is QRRZZEQBMKSZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-7-12(2)9-15(8-11)17(18)14-3-4-16-13(10-14)5-6-19-16/h3-4,7-10,17H,5-6,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine?
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.29, 2 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-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 43198444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).