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

C16H25NO — CID 83049218

IUPACN,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(C)ccc(C(C)C)c2C1NC
InChIInChI=1S/C16H25NO/c1-6-7-13-15(17-5)14-12(10(2)3)9-8-11(4)16(14)18-13/h8-10,13,15,17H,6-7H2,1-5H3
InChIKeyBXNJGJXHZVGHTH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.94
Rot. Bonds4

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

N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049218) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049218
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(C)ccc(C(C)C)c2C1NC
InChIInChI=1S/C16H25NO/c1-6-7-13-15(17-5)14-12(10(2)3)9-8-11(4)16(14)18-13/h8-10,13,15,17H,6-7H2,1-5H3
InChIKeyBXNJGJXHZVGHTH-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049218) is N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(C)ccc(C(C)C)c2C1NC.
What is the InChIKey of N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BXNJGJXHZVGHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-7-13-15(17-5)14-12(10(2)3)9-8-11(4)16(14)18-13/h8-10,13,15,17H,6-7H2,1-5H3.
What are the key properties of N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).