N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine

C19H31NO — CID 43512291

IUPACN-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC(C)(C)c1cc2c(c(C(C)(C)CC)c1)OCC2NC
InChIInChI=1S/C19H31NO/c1-8-18(3,4)13-10-14-16(20-7)12-21-17(14)15(11-13)19(5,6)9-2/h10-11,16,20H,8-9,12H2,1-7H3
InChIKeySDQVWKDKIQNYTL-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.71
Rot. Bonds5

About N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine

N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512291) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512291
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC(C)(C)c1cc2c(c(C(C)(C)CC)c1)OCC2NC
InChIInChI=1S/C19H31NO/c1-8-18(3,4)13-10-14-16(20-7)12-21-17(14)15(11-13)19(5,6)9-2/h10-11,16,20H,8-9,12H2,1-7H3
InChIKeySDQVWKDKIQNYTL-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512363
7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512531
N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512547
[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane
CID 15666236
5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512484
5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512651
5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512181
2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
CID 23002700
sodium 1,3,7,9-tetrakis(2-methylbutan-2-yl)-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 139878547
3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol
CID 112546911
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol
CID 139724531

Frequently Asked Questions

What is the IUPAC name of N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine (CID 43512291) is N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine is CCC(C)(C)c1cc2c(c(C(C)(C)CC)c1)OCC2NC.
What is the InChIKey of N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is SDQVWKDKIQNYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-8-18(3,4)13-10-14-16(20-7)12-21-17(14)15(11-13)19(5,6)9-2/h10-11,16,20H,8-9,12H2,1-7H3.
What are the key properties of N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 289.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).