[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine

C16H24N2O — CID 117405541

IUPAC[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C16H24N2O/c1-16(2)8-12-5-4-6-13(15(12)19-16)14-7-11(9-17)10-18(14)3/h4-6,11,14H,7-10,17H2,1-3H3
InChIKeyNGQMXDYJOHLGKQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds2

About [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117405541) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117405541
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C16H24N2O/c1-16(2)8-12-5-4-6-13(15(12)19-16)14-7-11(9-17)10-18(14)3/h4-6,11,14H,7-10,17H2,1-3H3
InChIKeyNGQMXDYJOHLGKQ-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117475477
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79510725
[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
CID 64510953
[5-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117454617
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4H-1,4-benzoxazin-3-one
CID 117407683
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
CID 117354250
[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117389264
[1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine
CID 112546386
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline
CID 117408815

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117405541) is [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1cccc2c1OC(C)(C)C2.
What is the InChIKey of [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is NGQMXDYJOHLGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)8-12-5-4-6-13(15(12)19-16)14-7-11(9-17)10-18(14)3/h4-6,11,14H,7-10,17H2,1-3H3.
What are the key properties of [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117405541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).