N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C14H21NO — CID 83048808

IUPACN-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(C)cccc2C1NCC
InChIInChI=1S/C14H21NO/c1-4-7-12-13(15-5-2)11-9-6-8-10(3)14(11)16-12/h6,8-9,12-13,15H,4-5,7H2,1-3H3
InChIKeyBNVIDFWJMNQHPB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.21
Rot. Bonds4

About N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83048808) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83048808
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(C)cccc2C1NCC
InChIInChI=1S/C14H21NO/c1-4-7-12-13(15-5-2)11-9-6-8-10(3)14(11)16-12/h6,8-9,12-13,15H,4-5,7H2,1-3H3
InChIKeyBNVIDFWJMNQHPB-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83048808) is N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(C)cccc2C1NCC.
What is the InChIKey of N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BNVIDFWJMNQHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-12-13(15-5-2)11-9-6-8-10(3)14(11)16-12/h6,8-9,12-13,15H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 219.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83048808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).