1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine

C14H19NO — CID 65439039

IUPAC1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)c2cc(C(N)C(C)C)oc2c1
InChIInChI=1S/C14H19NO/c1-8(2)14(15)13-7-11-10(4)5-9(3)6-12(11)16-13/h5-8,14H,15H2,1-4H3
InChIKeyMIKZFOXYCRHTKP-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.71
Rot. Bonds2

About 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine

1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 65439039) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID65439039
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)c2cc(C(N)C(C)C)oc2c1
InChIInChI=1S/C14H19NO/c1-8(2)14(15)13-7-11-10(4)5-9(3)6-12(11)16-13/h5-8,14H,15H2,1-4H3
InChIKeyMIKZFOXYCRHTKP-UHFFFAOYSA-N
XLogP3.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 165455132
(4,6-dimethyl-1-benzofuran-2-yl)methanamine
CID 65439776
1-(4,6-dimethyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65439436
1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one
CID 65426315
N-[(4,6-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65439958
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65438472
4,6-dimethyl-2-propyl-1-benzofuran
CID 146227493
1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65440384
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440428
(2,4,6-trimethylphenyl) 2-amino-3-methylbutanoate
CID 82116665
(2,4,6-trimethylphenyl) 2-aminopropanoate
CID 77308441

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 65439039) is 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine is Cc1cc(C)c2cc(C(N)C(C)C)oc2c1.
What is the InChIKey of 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is MIKZFOXYCRHTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-8(2)14(15)13-7-11-10(4)5-9(3)6-12(11)16-13/h5-8,14H,15H2,1-4H3.
What are the key properties of 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine?
1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 65439039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).