7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

C15H23NO — CID 54909810

IUPAC7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2c(C)ccc(C(C)C)c21
InChIInChI=1S/C15H23NO/c1-5-8-16-13-9-17-15-11(4)6-7-12(10(2)3)14(13)15/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyJUSLPJVFFORRHK-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.55
Rot. Bonds4

About 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 54909810) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID54909810
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2c(C)ccc(C(C)C)c21
InChIInChI=1S/C15H23NO/c1-5-8-16-13-9-17-15-11(4)6-7-12(10(2)3)14(13)15/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyJUSLPJVFFORRHK-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-9-propan-2-yl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512627
N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 61037728
7-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511879
N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine
CID 64696229
7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512702
9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 64855372
N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049218
5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659799
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 12621940
8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107659828
8,9-dimethyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512197

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 54909810) is 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1COc2c(C)ccc(C(C)C)c21.
What is the InChIKey of 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JUSLPJVFFORRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-8-16-13-9-17-15-11(4)6-7-12(10(2)3)14(13)15/h6-7,10,13,16H,5,8-9H2,1-4H3.
What are the key properties of 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 233.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 54909810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).