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

C19H29NO — CID 65439868

IUPAC2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCCNC(c1cc2c(C)cc(C)c(C)c2o1)C(C)(C)C
InChIInChI=1S/C19H29NO/c1-8-9-20-18(19(5,6)7)16-11-15-13(3)10-12(2)14(4)17(15)21-16/h10-11,18,20H,8-9H2,1-7H3
InChIKeyBCJKYNOSDBKDOY-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.44
Rot. Bonds4

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

2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 65439868) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID65439868
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCCNC(c1cc2c(C)cc(C)c(C)c2o1)C(C)(C)C
InChIInChI=1S/C19H29NO/c1-8-9-20-18(19(5,6)7)16-11-15-13(3)10-12(2)14(4)17(15)21-16/h10-11,18,20H,8-9H2,1-7H3
InChIKeyBCJKYNOSDBKDOY-UHFFFAOYSA-N
XLogP5.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440238
1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine
CID 65440386
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398943
1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440774
1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496846
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 114731309
1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 65439498
2,2-dimethyl-1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106755303
1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 114249160
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116725058

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine (CID 65439868) is 2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine is CCCNC(c1cc2c(C)cc(C)c(C)c2o1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is BCJKYNOSDBKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-8-9-20-18(19(5,6)7)16-11-15-13(3)10-12(2)14(4)17(15)21-16/h10-11,18,20H,8-9H2,1-7H3.
What are the key properties of 2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine?
2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 65439868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).