N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine

C19H29NO — CID 114377137

IUPACN-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCc1ccc(C(C)C)c2c(C(C)C)c(CNC(C)C)oc12
InChIInChI=1S/C19H29NO/c1-11(2)15-9-8-14(7)19-18(15)17(12(3)4)16(21-19)10-20-13(5)6/h8-9,11-13,20H,10H2,1-7H3
InChIKeyFFNZIOCTSBIWOC-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.49
Rot. Bonds5

About N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine

N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine (PubChem CID 114377137) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine
PubChem CID114377137
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCc1ccc(C(C)C)c2c(C(C)C)c(CNC(C)C)oc12
InChIInChI=1S/C19H29NO/c1-11(2)15-9-8-14(7)19-18(15)17(12(3)4)16(21-19)10-20-13(5)6/h8-9,11-13,20H,10H2,1-7H3
InChIKeyFFNZIOCTSBIWOC-UHFFFAOYSA-N
XLogP5.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114377113
N-[(4-fluoro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 102990738
N-[(3-tert-butyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377127
N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377499
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
N-[(3-ethyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843114
N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114377030
N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376599
N-[(7-chloro-4-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376933
(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 81049235
N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376870
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685

Frequently Asked Questions

What is the IUPAC name of N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine (CID 114377137) is N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine is Cc1ccc(C(C)C)c2c(C(C)C)c(CNC(C)C)oc12.
What is the InChIKey of N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The InChIKey is FFNZIOCTSBIWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-11(2)15-9-8-14(7)19-18(15)17(12(3)4)16(21-19)10-20-13(5)6/h8-9,11-13,20H,10H2,1-7H3.
What are the key properties of N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine?
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114377137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).