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

C17H27NO — CID 107293609

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C17H27NO/c1-6-12(2)9-15(18-5)13-7-8-16-14(10-13)17(3,4)11-19-16/h7-8,10,12,15,18H,6,9,11H2,1-5H3
InChIKeyYNTBHTVNAQTTRO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.05
Rot. Bonds5

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

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine (PubChem CID 107293609) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine
PubChem CID107293609
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C17H27NO/c1-6-12(2)9-15(18-5)13-7-8-16-14(10-13)17(3,4)11-19-16/h7-8,10,12,15,18H,6,9,11H2,1-5H3
InChIKeyYNTBHTVNAQTTRO-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 107293631
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 107293642
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 107293669
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline
CID 105138453
5-(1-chloro-3,3-dimethylbutyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294244
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 107293623
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)hexan-1-amine
CID 107293547
N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 62716073
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine (CID 107293609) is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1ccc2c(c1)C(C)(C)CO2.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine?
The InChIKey is YNTBHTVNAQTTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-12(2)9-15(18-5)13-7-8-16-14(10-13)17(3,4)11-19-16/h7-8,10,12,15,18H,6,9,11H2,1-5H3.
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine?
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 107293609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).