2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine

C16H23NO — CID 81048795

IUPAC2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1cc2oc(CNC(C)(C)C)c(C)c2cc1C
InChIInChI=1S/C16H23NO/c1-10-7-13-12(3)15(9-17-16(4,5)6)18-14(13)8-11(10)2/h7-8,17H,9H2,1-6H3
InChIKeySEOXNSTYNOIVKL-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.25
Rot. Bonds2

About 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine

2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 81048795) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID81048795
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1cc2oc(CNC(C)(C)C)c(C)c2cc1C
InChIInChI=1S/C16H23NO/c1-10-7-13-12(3)15(9-17-16(4,5)6)18-14(13)8-11(10)2/h7-8,17H,9H2,1-6H3
InChIKeySEOXNSTYNOIVKL-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8,9,10-tetrahydro-6H-furo[2,3-i][3]benzazepine
CID 44451369
2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide
CID 127025784
N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide
CID 127026062
N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide
CID 127026427
N-[2-(2-furyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 24819453
5-Ethyl-6-methyl-3-{[(3-methyl-1-benzofuran-2-yl)methyl]amino}-1,2-dihydropyridin-2-one
CID 454453
N-cyclopentyl-2-benzo[e]benzofurancarboxamide
CID 749682
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2-furylmethyl)acetamide
CID 1243461
N-Benzofuran-2-ylmethyl-N-ethyl-N',N'-dimethyl-pentane-1,5-diamine
CID 11979286
N1-(benzofuran-2-ylmethyl)-N1,N5,N5-trimethylpentane-1,5-diamine hydrochloride
CID 16192902
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
N-(furan-2-ylmethyl)-2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 44423254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 81048795) is 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine is Cc1cc2oc(CNC(C)(C)C)c(C)c2cc1C.
What is the InChIKey of 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is SEOXNSTYNOIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-7-13-12(3)15(9-17-16(4,5)6)18-14(13)8-11(10)2/h7-8,17H,9H2,1-6H3.
What are the key properties of 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 81048795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).