(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine

C15H21NO3 — CID 62804713

IUPAC(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine
SMILESCC1(C)Cc2cc(C(N)C3COCCO3)ccc2O1
InChIInChI=1S/C15H21NO3/c1-15(2)8-11-7-10(3-4-12(11)19-15)14(16)13-9-17-5-6-18-13/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3
InChIKeyLIUKUKVYVZBSEZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.82
Rot. Bonds2

About (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine (PubChem CID 62804713) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine
PubChem CID62804713
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine
SMILESCC1(C)Cc2cc(C(N)C3COCCO3)ccc2O1
InChIInChI=1S/C15H21NO3/c1-15(2)8-11-7-10(3-4-12(11)19-15)14(16)13-9-17-5-6-18-13/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3
InChIKeyLIUKUKVYVZBSEZ-UHFFFAOYSA-N
XLogP1.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Apdb
CID 192601
2,3-Dihydro-1-benzofuran-5-ylmethanamine
CID 2735367
1-(2,3-Dihydrobenzofuran-5-yl)-N-methylpropan-2-amine
CID 112500533
2-(2,4-Dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162315023
3-Amino-2,3-dihydrobenzofuran
CID 13778152
2-Benzofuranmethylamine, 2,3-dihydro-5-methyl-, hydrochloride
CID 29839
Benzylamine, 4-(cyclohexyloxy)-alpha,3-dimethyl-
CID 58255
(2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28063033
2-(2,6-Dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 164628143
1-[7-(3-Fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-YL]methanamine
CID 56721982
1-(7-Methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine--hydrogen chloride (1/1)
CID 36480
Benzylamine, 4-(cyclohexyloxy)-3-ethyl-alpha-methyl-
CID 60283

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine (CID 62804713) is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine is CC1(C)Cc2cc(C(N)C3COCCO3)ccc2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine?
The InChIKey is LIUKUKVYVZBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)8-11-7-10(3-4-12(11)19-15)14(16)13-9-17-5-6-18-13/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine?
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine is sourced from PubChem (CID 62804713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).