[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine

C15H21NO — CID 66360102

IUPAC[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine
SMILESCc1ccc2c(c1)CC(CC1(CN)CCC1)O2
InChIInChI=1S/C15H21NO/c1-11-3-4-14-12(7-11)8-13(17-14)9-15(10-16)5-2-6-15/h3-4,7,13H,2,5-6,8-10,16H2,1H3
InChIKeyZRQMSRZLBNEQFI-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds3

About [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine

[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine (PubChem CID 66360102) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine
PubChem CID66360102
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine
SMILESCc1ccc2c(c1)CC(CC1(CN)CCC1)O2
InChIInChI=1S/C15H21NO/c1-11-3-4-14-12(7-11)8-13(17-14)9-15(10-16)5-2-6-15/h3-4,7,13H,2,5-6,8-10,16H2,1H3
InChIKeyZRQMSRZLBNEQFI-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66392949
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol
CID 66393135
[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine
CID 66391386
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 66361411
[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol
CID 66391192
2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66360867
[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine
CID 66360165
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006
3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 66391779
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine
CID 66361314
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine
CID 66362925
4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexane-1-carbonitrile
CID 66392942

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine (CID 66360102) is [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine is Cc1ccc2c(c1)CC(CC1(CN)CCC1)O2.
What is the InChIKey of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine?
The InChIKey is ZRQMSRZLBNEQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-3-4-14-12(7-11)8-13(17-14)9-15(10-16)5-2-6-15/h3-4,7,13H,2,5-6,8-10,16H2,1H3.
What are the key properties of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine?
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 66360102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).