N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine

C19H29NO — CID 63398943

IUPACN-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(C)cc(C(C)(C)C)cc2c1C
InChIInChI=1S/C19H29NO/c1-8-9-20-14(4)18-13(3)16-11-15(19(5,6)7)10-12(2)17(16)21-18/h10-11,14,20H,8-9H2,1-7H3
InChIKeyAHHHADNXSJSLGE-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.41
Rot. Bonds4

About N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine

N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 63398943) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID63398943
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(C)cc(C(C)(C)C)cc2c1C
InChIInChI=1S/C19H29NO/c1-8-9-20-14(4)18-13(3)16-11-15(19(5,6)7)10-12(2)17(16)21-18/h10-11,14,20H,8-9H2,1-7H3
InChIKeyAHHHADNXSJSLGE-UHFFFAOYSA-N
XLogP5.41
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 ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398521
N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 55185952
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 63398731
N-[1-(5-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398602
N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81041095
N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 61281326
N-[1-(5-bromo-3,4,6-trimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 107725506
1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine
CID 43332526
2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
CID 65439868
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 61281522
N-[(5-tert-butyl-7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440555

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 63398943) is N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNC(C)c1oc2c(C)cc(C(C)(C)C)cc2c1C.
What is the InChIKey of N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is AHHHADNXSJSLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-8-9-20-14(4)18-13(3)16-11-15(19(5,6)7)10-12(2)17(16)21-18/h10-11,14,20H,8-9H2,1-7H3.
What are the key properties of N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63398943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).