3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine

C19H29NO — CID 107293631

IUPAC3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C19H29NO/c1-19(2)13-21-18-11-9-15(12-16(18)19)17(20-3)10-8-14-6-4-5-7-14/h9,11-12,14,17,20H,4-8,10,13H2,1-3H3
InChIKeyDQRLYWIUSZPYRN-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.59
Rot. Bonds5

About 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine

3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine (PubChem CID 107293631) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine
PubChem CID107293631
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C19H29NO/c1-19(2)13-21-18-11-9-15(12-16(18)19)17(20-3)10-8-14-6-4-5-7-14/h9,11-12,14,17,20H,4-8,10,13H2,1-3H3
InChIKeyDQRLYWIUSZPYRN-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine
CID 107293609
2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
CID 107294159
3-cyclopentyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 43480658
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107293658
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293750
cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 107293642
5-[1-bromo-3-(oxan-2-yl)propyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294488
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 107294030
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine (CID 107293631) is 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine is CNC(CCC1CCCC1)c1ccc2c(c1)C(C)(C)CO2.
What is the InChIKey of 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine?
The InChIKey is DQRLYWIUSZPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2)13-21-18-11-9-15(12-16(18)19)17(20-3)10-8-14-6-4-5-7-14/h9,11-12,14,17,20H,4-8,10,13H2,1-3H3.
What are the key properties of 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine?
3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 107293631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).