4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine

C15H23NO — CID 66394102

IUPAC4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
SMILESCc1ccc2c(c1)CC(CC(N)CC(C)C)O2
InChIInChI=1S/C15H23NO/c1-10(2)6-13(16)9-14-8-12-7-11(3)4-5-15(12)17-14/h4-5,7,10,13-14H,6,8-9,16H2,1-3H3
InChIKeyDSCIPRBUMDDLSQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.06
Rot. Bonds4

About 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine

4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine (PubChem CID 66394102) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
PubChem CID66394102
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
SMILESCc1ccc2c(c1)CC(CC(N)CC(C)C)O2
InChIInChI=1S/C15H23NO/c1-10(2)6-13(16)9-14-8-12-7-11(3)4-5-15(12)17-14/h4-5,7,10,13-14H,6,8-9,16H2,1-3H3
InChIKeyDSCIPRBUMDDLSQ-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
CID 66391385
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66360046
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 66361453
1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
CID 117202827
4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine
CID 66361456
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360254
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
CID 66360465
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393909
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine?
The IUPAC name of 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine (CID 66394102) is 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine is Cc1ccc2c(c1)CC(CC(N)CC(C)C)O2.
What is the InChIKey of 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine?
The InChIKey is DSCIPRBUMDDLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)6-13(16)9-14-8-12-7-11(3)4-5-15(12)17-14/h4-5,7,10,13-14H,6,8-9,16H2,1-3H3.
What are the key properties of 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine?
4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine is sourced from PubChem (CID 66394102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).