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

C16H23NO — CID 114745895

IUPACN-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2c1OCC2)C1(C)CC1
InChIInChI=1S/C16H23NO/c1-3-10-17-15(16(2)8-9-16)13-6-4-5-12-7-11-18-14(12)13/h4-6,15,17H,3,7-11H2,1-2H3
InChIKeyCUAUSVWZACNMRO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.46
Rot. Bonds5

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

N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 114745895) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
PubChem CID114745895
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2c1OCC2)C1(C)CC1
InChIInChI=1S/C16H23NO/c1-3-10-17-15(16(2)8-9-16)13-6-4-5-12-7-11-18-14(12)13/h4-6,15,17H,3,7-11H2,1-2H3
InChIKeyCUAUSVWZACNMRO-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830699
2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
CID 114744695
N-[2,3-dihydro-1-benzofuran-7-yl(pyridin-4-yl)methyl]propan-1-amine
CID 114744963
N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114744925
N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745571
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103029496
N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105053489
N-[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745411
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 114745818
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine (CID 114745895) is N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cccc2c1OCC2)C1(C)CC1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is CUAUSVWZACNMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-10-17-15(16(2)8-9-16)13-6-4-5-12-7-11-18-14(12)13/h4-6,15,17H,3,7-11H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 114745895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).