N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine

C19H27NO — CID 65438322

IUPACN-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc2cc(C)cc(C(C)(C)C)c2o1)C1CC1
InChIInChI=1S/C19H27NO/c1-6-20-17(13-7-8-13)16-11-14-9-12(2)10-15(18(14)21-16)19(3,4)5/h9-11,13,17,20H,6-8H2,1-5H3
InChIKeyGBBXXQUIJXPNRV-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.10
Rot. Bonds4

About N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine

N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine (PubChem CID 65438322) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
PubChem CID65438322
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc2cc(C)cc(C(C)(C)C)c2o1)C1CC1
InChIInChI=1S/C19H27NO/c1-6-20-17(13-7-8-13)16-11-14-9-12(2)10-15(18(14)21-16)19(3,4)5/h9-11,13,17,20H,6-8H2,1-5H3
InChIKeyGBBXXQUIJXPNRV-UHFFFAOYSA-N
XLogP5.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438893
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 115493603
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440443
N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63504568

Frequently Asked Questions

What is the IUPAC name of N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine (CID 65438322) is N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine is CCNC(c1cc2cc(C)cc(C(C)(C)C)c2o1)C1CC1.
What is the InChIKey of N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The InChIKey is GBBXXQUIJXPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-20-17(13-7-8-13)16-11-14-9-12(2)10-15(18(14)21-16)19(3,4)5/h9-11,13,17,20H,6-8H2,1-5H3.
What are the key properties of N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 65438322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).