N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C14H21NO — CID 83048813

IUPACN,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(C)ccc(C)c2C1NC
InChIInChI=1S/C14H21NO/c1-5-6-11-13(15-4)12-9(2)7-8-10(3)14(12)16-11/h7-8,11,13,15H,5-6H2,1-4H3
InChIKeyHAOKBEHXCTVJLF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.13
Rot. Bonds3

About N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83048813) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83048813
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(C)ccc(C)c2C1NC
InChIInChI=1S/C14H21NO/c1-5-6-11-13(15-4)12-9(2)7-8-10(3)14(12)16-11/h7-8,11,13,15H,5-6H2,1-4H3
InChIKeyHAOKBEHXCTVJLF-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83048813) is N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(C)ccc(C)c2C1NC.
What is the InChIKey of N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is HAOKBEHXCTVJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-6-11-13(15-4)12-9(2)7-8-10(3)14(12)16-11/h7-8,11,13,15H,5-6H2,1-4H3.
What are the key properties of N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 219.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83048813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).