N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine

C17H25NO — CID 65440238

IUPACN,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
SMILESCNC(c1cc2c(C)cc(C)c(C)c2o1)C(C)(C)C
InChIInChI=1S/C17H25NO/c1-10-8-11(2)13-9-14(19-15(13)12(10)3)16(18-7)17(4,5)6/h8-9,16,18H,1-7H3
InChIKeyVPMHZEYOSIQBHZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.66
Rot. Bonds2

About N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine

N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 65440238) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID65440238
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
SMILESCNC(c1cc2c(C)cc(C)c(C)c2o1)C(C)(C)C
InChIInChI=1S/C17H25NO/c1-10-8-11(2)13-9-14(19-15(13)12(10)3)16(18-7)17(4,5)6/h8-9,16,18H,1-7H3
InChIKeyVPMHZEYOSIQBHZ-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
CID 65439868
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65440627
1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine
CID 65440386
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 116690977
tert-butyl 4,6,7-trimethyl-1-benzofuran-2-carboxylate
CID 121432586
2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43483979
N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 115854212
1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 65439498
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65438890
[2,2-dimethyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
CID 105203122
1-(6,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 65440389

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine (CID 65440238) is N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine is CNC(c1cc2c(C)cc(C)c(C)c2o1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is VPMHZEYOSIQBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-10-8-11(2)13-9-14(19-15(13)12(10)3)16(18-7)17(4,5)6/h8-9,16,18H,1-7H3.
What are the key properties of N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine?
N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 65440238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).