3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine

C18H27NO2 — CID 64508361

IUPAC3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine
SMILESCC1(C)Cc2cccc(CNCCCOCC3CC3)c2O1
InChIInChI=1S/C18H27NO2/c1-18(2)11-15-5-3-6-16(17(15)21-18)12-19-9-4-10-20-13-14-7-8-14/h3,5-6,14,19H,4,7-13H2,1-2H3
InChIKeyYZAPGJRPZHYRGW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.31
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine (PubChem CID 64508361) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine
PubChem CID64508361
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine
SMILESCC1(C)Cc2cccc(CNCCCOCC3CC3)c2O1
InChIInChI=1S/C18H27NO2/c1-18(2)11-15-5-3-6-16(17(15)21-18)12-19-9-4-10-20-13-14-7-8-14/h3,5-6,14,19H,4,7-13H2,1-2H3
InChIKeyYZAPGJRPZHYRGW-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine (CID 64508361) is 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine is CC1(C)Cc2cccc(CNCCCOCC3CC3)c2O1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine?
The InChIKey is YZAPGJRPZHYRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2)11-15-5-3-6-16(17(15)21-18)12-19-9-4-10-20-13-14-7-8-14/h3,5-6,14,19H,4,7-13H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine is sourced from PubChem (CID 64508361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).