(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine

C14H19NO — CID 81049235

IUPAC(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(C(C)C)c2oc(CN)c(C)c12
InChIInChI=1S/C14H19NO/c1-8(2)11-6-5-9(3)13-10(4)12(7-15)16-14(11)13/h5-6,8H,7,15H2,1-4H3
InChIKeyYTJCIVUYKPYCCR-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.63
Rot. Bonds2

About (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine

(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine (PubChem CID 81049235) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine
PubChem CID81049235
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(C(C)C)c2oc(CN)c(C)c12
InChIInChI=1S/C14H19NO/c1-8(2)11-6-5-9(3)13-10(4)12(7-15)16-14(11)13/h5-6,8H,7,15H2,1-4H3
InChIKeyYTJCIVUYKPYCCR-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine (CID 81049235) is (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine is Cc1ccc(C(C)C)c2oc(CN)c(C)c12.
What is the InChIKey of (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine?
The InChIKey is YTJCIVUYKPYCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-8(2)11-6-5-9(3)13-10(4)12(7-15)16-14(11)13/h5-6,8H,7,15H2,1-4H3.
What are the key properties of (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine?
(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine has a molecular weight of 217.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 81049235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).