N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine

C18H25NO2 — CID 114730077

IUPACN-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(C)c2o1)C1(C)CCCO1
InChIInChI=1S/C18H25NO2/c1-4-10-19-17(18(3)9-6-11-20-18)15-12-14-8-5-7-13(2)16(14)21-15/h5,7-8,12,17,19H,4,6,9-11H2,1-3H3
InChIKeyLADYNLWNFUWIFM-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.35
Rot. Bonds5

About N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine

N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 114730077) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID114730077
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(C)c2o1)C1(C)CCCO1
InChIInChI=1S/C18H25NO2/c1-4-10-19-17(18(3)9-6-11-20-18)15-12-14-8-5-7-13(2)16(14)21-15/h5,7-8,12,17,19H,4,6,9-11H2,1-3H3
InChIKeyLADYNLWNFUWIFM-UHFFFAOYSA-N
XLogP4.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
N-[1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfonylethyl]propan-1-amine
CID 105045409
N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492
N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105395284
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 114731309
N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729058
N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80685124
N-[1,4-dithian-2-yl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114729996
N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105045696
N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114730277
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine (CID 114730077) is N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc2cccc(C)c2o1)C1(C)CCCO1.
What is the InChIKey of N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is LADYNLWNFUWIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-10-19-17(18(3)9-6-11-20-18)15-12-14-8-5-7-13(2)16(14)21-15/h5,7-8,12,17,19H,4,6,9-11H2,1-3H3.
What are the key properties of N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114730077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).