N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine

C16H23NO — CID 176877286

IUPACN,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine
SMILESCC(C)c1cc(C(C)C)c2occc2c1N(C)C
InChIInChI=1S/C16H23NO/c1-10(2)13-9-14(11(3)4)16-12(7-8-18-16)15(13)17(5)6/h7-11H,1-6H3
InChIKeyXDVMTCDVCVHLRH-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.75
Rot. Bonds3

About N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine

N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine (PubChem CID 176877286) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine
PubChem CID176877286
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine
SMILESCC(C)c1cc(C(C)C)c2occc2c1N(C)C
InChIInChI=1S/C16H23NO/c1-10(2)13-9-14(11(3)4)16-12(7-8-18-16)15(13)17(5)6/h7-11H,1-6H3
InChIKeyXDVMTCDVCVHLRH-UHFFFAOYSA-N
XLogP4.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-di(propan-2-yl)-1-benzofuran-4-amine
CID 176877209
5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran
CID 176877241
4-fluoro-5,7-di(propan-2-yl)-1-benzofuran
CID 176877276
ethane;7-methyl-4-propan-2-yl-1-benzofuran
CID 145358952
5,7-di(propan-2-yl)-1-benzofuran
CID 58779354
7-propan-2-yl-1-benzofuran-4-sulfonic acid
CID 156647963
5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
CID 156725009
7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran
CID 138519726
4,5,7-trimethyl-6-propan-2-yl-1-benzofuran
CID 71217546
8-propan-2-yl-12-oxa-3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
CID 167511290
7-chloro-6-propan-2-yl-1-benzofuran
CID 59613680
4,8-dimethylfuro[2,3-f][1]benzofuran
CID 130182469

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine?
The IUPAC name of N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine (CID 176877286) is N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine.
What is the SMILES notation for N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine?
The canonical SMILES for N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine is CC(C)c1cc(C(C)C)c2occc2c1N(C)C.
What is the InChIKey of N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine?
The InChIKey is XDVMTCDVCVHLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10(2)13-9-14(11(3)4)16-12(7-8-18-16)15(13)17(5)6/h7-11H,1-6H3.
What are the key properties of N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine?
N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine has a molecular weight of 245.37 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine is sourced from PubChem (CID 176877286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).