(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine

C13H17NO — CID 165455132

IUPAC(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCc1ccc2cc([C@@H](N)C(C)C)oc2c1
InChIInChI=1S/C13H17NO/c1-8(2)13(14)12-7-10-5-4-9(3)6-11(10)15-12/h4-8,13H,14H2,1-3H3/t13-/m0/s1
InChIKeyIKTQCGYGUYFKIV-ZDUSSCGKSA-N
MW203.28 g/mol
LogP3.40
Rot. Bonds2

About (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine

(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 165455132) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID165455132
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCc1ccc2cc([C@@H](N)C(C)C)oc2c1
InChIInChI=1S/C13H17NO/c1-8(2)13(14)12-7-10-5-4-9(3)6-11(10)15-12/h4-8,13H,14H2,1-3H3/t13-/m0/s1
InChIKeyIKTQCGYGUYFKIV-ZDUSSCGKSA-N
XLogP3.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine (CID 165455132) is (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine is Cc1ccc2cc([C@@H](N)C(C)C)oc2c1.
What is the InChIKey of (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is IKTQCGYGUYFKIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO/c1-8(2)13(14)12-7-10-5-4-9(3)6-11(10)15-12/h4-8,13H,14H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine?
(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 165455132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).