N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine

C19H29NO — CID 107294650

IUPACN-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine
SMILESCC(CCNC1CC1)CCc1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C19H29NO/c1-14(10-11-20-16-7-8-16)4-5-15-6-9-18-17(12-15)19(2,3)13-21-18/h6,9,12,14,16,20H,4-5,7-8,10-11,13H2,1-3H3
InChIKeyLXMZZPSNVNULIS-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.07
Rot. Bonds7

About N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine

N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine (PubChem CID 107294650) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine
PubChem CID107294650
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine
SMILESCC(CCNC1CC1)CCc1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C19H29NO/c1-14(10-11-20-16-7-8-16)4-5-15-6-9-18-17(12-15)19(2,3)13-21-18/h6,9,12,14,16,20H,4-5,7-8,10-11,13H2,1-3H3
InChIKeyLXMZZPSNVNULIS-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine
CID 82604219
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-ethylbutan-1-amine
CID 107294643
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 104662912
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
N-tert-butyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-1-amine
CID 65304418
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)butane-2-sulfonic acid
CID 154161287
N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 64663740
N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 81470336
N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65306067
N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 65303656
2-(4-bromophenyl)-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
CID 107294093

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine?
The IUPAC name of N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine (CID 107294650) is N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine is CC(CCNC1CC1)CCc1ccc2c(c1)C(C)(C)CO2.
What is the InChIKey of N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine?
The InChIKey is LXMZZPSNVNULIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(10-11-20-16-7-8-16)4-5-15-6-9-18-17(12-15)19(2,3)13-21-18/h6,9,12,14,16,20H,4-5,7-8,10-11,13H2,1-3H3.
What are the key properties of N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine?
N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine is sourced from PubChem (CID 107294650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).