(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine

C14H17NO — CID 62381419

IUPAC(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine
SMILESCc1cc(C)c2oc(CN)c(C3CC3)c2c1
InChIInChI=1S/C14H17NO/c1-8-5-9(2)14-11(6-8)13(10-3-4-10)12(7-15)16-14/h5-6,10H,3-4,7,15H2,1-2H3
InChIKeyAWDKPPMFQDIFFT-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.39
Rot. Bonds2

About (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine

(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine (PubChem CID 62381419) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine
PubChem CID62381419
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine
SMILESCc1cc(C)c2oc(CN)c(C3CC3)c2c1
InChIInChI=1S/C14H17NO/c1-8-5-9(2)14-11(6-8)13(10-3-4-10)12(7-15)16-14/h5-6,10H,3-4,7,15H2,1-2H3
InChIKeyAWDKPPMFQDIFFT-UHFFFAOYSA-N
XLogP3.39
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-2-furanmethanamine
CID 11993871
5-(2-Aminopropyl)benzofuran
CID 9837232
1-(1-Benzofuran-2-yl)ethan-1-amine
CID 3164026
2-(Aminomethyl)benzofuran
CID 19079348
(5-Bromo-7-methyl-1-benzofuran-2-yl)methanamine
CID 63216476
(5-Methyl-1-benzofuran-2-yl)methanamine
CID 45122674
[(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride
CID 44572301
1-Benzofuran-5-ylmethylamine
CID 2795182
(5-Fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 45792463
3-Benzofuranmethylamine, 2-ethyl-
CID 56186
(1-Benzofuran-2-yl)(phenyl)methanamine hydrochloride
CID 16297685
1-(5-Fluoro-1-benzofuran-2-yl)ethan-1-amine
CID 18965420

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine (CID 62381419) is (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine is Cc1cc(C)c2oc(CN)c(C3CC3)c2c1.
What is the InChIKey of (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine?
The InChIKey is AWDKPPMFQDIFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-8-5-9(2)14-11(6-8)13(10-3-4-10)12(7-15)16-14/h5-6,10H,3-4,7,15H2,1-2H3.
What are the key properties of (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine?
(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62381419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).