N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine

C19H27NO — CID 114376722

IUPACN-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)oc2c(C(C)(C)C)cccc12
InChIInChI=1S/C19H27NO/c1-5-7-14-15-8-6-9-16(19(2,3)4)18(15)21-17(14)12-20-13-10-11-13/h6,8-9,13,20H,5,7,10-12H2,1-4H3
InChIKeyPNOPQBNWOSYGIQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.93
Rot. Bonds5

About N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine

N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 114376722) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID114376722
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)oc2c(C(C)(C)C)cccc12
InChIInChI=1S/C19H27NO/c1-5-7-14-15-8-6-9-16(19(2,3)4)18(15)21-17(14)12-20-13-10-11-13/h6,8-9,13,20H,5,7,10-12H2,1-4H3
InChIKeyPNOPQBNWOSYGIQ-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 65438821
N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377379
N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 102990772
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888027
N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
N-[(7-chloro-3-ethyl-5-methyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 113459857
2-[[(4-methylcyclohexyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103234011
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63423900
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257

Frequently Asked Questions

What is the IUPAC name of N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 114376722) is N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine is CCCc1c(CNC2CC2)oc2c(C(C)(C)C)cccc12.
What is the InChIKey of N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is PNOPQBNWOSYGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-5-7-14-15-8-6-9-16(19(2,3)4)18(15)21-17(14)12-20-13-10-11-13/h6,8-9,13,20H,5,7,10-12H2,1-4H3.
What are the key properties of N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114376722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).