N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine

C17H23NO — CID 65440428

IUPACN-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(C)cc(C)cc2o1)C1CC1
InChIInChI=1S/C17H23NO/c1-4-7-18-17(13-5-6-13)16-10-14-12(3)8-11(2)9-15(14)19-16/h8-10,13,17-18H,4-7H2,1-3H3
InChIKeyMXWFYPAHBJAWTE-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.50
Rot. Bonds5

About N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine

N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 65440428) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID65440428
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(C)cc(C)cc2o1)C1CC1
InChIInChI=1S/C17H23NO/c1-4-7-18-17(13-5-6-13)16-10-14-12(3)8-11(2)9-15(14)19-16/h8-10,13,17-18H,4-7H2,1-3H3
InChIKeyMXWFYPAHBJAWTE-UHFFFAOYSA-N
XLogP4.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440443
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
1-(4,6-dimethyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65439436
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
N-[(5-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 114729168
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81474265
N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105049438
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 65440428) is N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNC(c1cc2c(C)cc(C)cc2o1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is MXWFYPAHBJAWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-7-18-17(13-5-6-13)16-10-14-12(3)8-11(2)9-15(14)19-16/h8-10,13,17-18H,4-7H2,1-3H3.
What are the key properties of N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65440428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).