(2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine

C14H19NO — CID 170234991

IUPAC(2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine
SMILESCC[C@H](Cc1ccc2oc(C)cc2c1)NC
InChIInChI=1S/C14H19NO/c1-4-13(15-3)9-11-5-6-14-12(8-11)7-10(2)16-14/h5-8,13,15H,4,9H2,1-3H3/t13-/m1/s1
InChIKeyXASGHNCHBOBXRZ-CYBMUJFWSA-N
MW217.31 g/mol
LogP3.28
Rot. Bonds4

About (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine

(2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine (PubChem CID 170234991) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine
PubChem CID170234991
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine
SMILESCC[C@H](Cc1ccc2oc(C)cc2c1)NC
InChIInChI=1S/C14H19NO/c1-4-13(15-3)9-11-5-6-14-12(8-11)7-10(2)16-14/h5-8,13,15H,4,9H2,1-3H3/t13-/m1/s1
InChIKeyXASGHNCHBOBXRZ-CYBMUJFWSA-N
XLogP3.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65441154
1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine
CID 166940972
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
CID 112513153
2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane
CID 168924257
4-(2-methyl-1-benzofuran-5-yl)butanoic acid
CID 83888027
(2-methyl-1-benzofuran-5-yl)hydrazine
CID 45122640
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
2-(1-benzofuran-5-yl)-1-cyclobutyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylpentan-2-amine
CID 168925996
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one
CID 82254613

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine?
The IUPAC name of (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine (CID 170234991) is (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine.
What is the SMILES notation for (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine?
The canonical SMILES for (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine is CC[C@H](Cc1ccc2oc(C)cc2c1)NC.
What is the InChIKey of (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine?
The InChIKey is XASGHNCHBOBXRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-13(15-3)9-11-5-6-14-12(8-11)7-10(2)16-14/h5-8,13,15H,4,9H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine?
(2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine is sourced from PubChem (CID 170234991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).