N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine

C19H29NO — CID 107001220

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CC(C)(C)O2)C1CC1(C)C
InChIInChI=1S/C19H29NO/c1-6-9-20-17(15-12-18(15,2)3)13-7-8-16-14(10-13)11-19(4,5)21-16/h7-8,10,15,17,20H,6,9,11-12H2,1-5H3
InChIKeyHTRCWKIFBNHKOV-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.49
Rot. Bonds5

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine (PubChem CID 107001220) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
PubChem CID107001220
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CC(C)(C)O2)C1CC1(C)C
InChIInChI=1S/C19H29NO/c1-6-9-20-17(15-12-18(15,2)3)13-7-8-16-14(10-13)11-19(4,5)21-16/h7-8,10,15,17,20H,6,9,11-12H2,1-5H3
InChIKeyHTRCWKIFBNHKOV-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001092
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-propylhexan-1-amine
CID 63506701
N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107561829
N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001033
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
CID 63505070
7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 107001262
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)octan-1-amine
CID 63504906
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
5-(1-bromo-2-ethylbutyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447709
5-(1-bromononyl)-2,2-dimethyl-3H-1-benzofuran
CID 65427934
5-(1-chlorooctyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447838

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine (CID 107001220) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CC(C)(C)O2)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is HTRCWKIFBNHKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-6-9-20-17(15-12-18(15,2)3)13-7-8-16-14(10-13)11-19(4,5)21-16/h7-8,10,15,17,20H,6,9,11-12H2,1-5H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 107001220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).