2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C19H29NO — CID 83150671

IUPAC2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(CC1Cc2ccccc2O1)C1CC1
InChIInChI=1S/C19H29NO/c1-14(2)12-20-13-19(3,16-8-9-16)11-17-10-15-6-4-5-7-18(15)21-17/h4-7,14,16-17,20H,8-13H2,1-3H3
InChIKeyBPJMNFNLOAYJEO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.04
Rot. Bonds7

About 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine

2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 83150671) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID83150671
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(CC1Cc2ccccc2O1)C1CC1
InChIInChI=1S/C19H29NO/c1-14(2)12-20-13-19(3,16-8-9-16)11-17-10-15-6-4-5-7-18(15)21-17/h4-7,14,16-17,20H,8-13H2,1-3H3
InChIKeyBPJMNFNLOAYJEO-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 66364616
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83151189
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 83159219
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 83149361
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 66363254
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 66364834
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 83150671) is 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(CC1Cc2ccccc2O1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is BPJMNFNLOAYJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)12-20-13-19(3,16-8-9-16)11-17-10-15-6-4-5-7-18(15)21-17/h4-7,14,16-17,20H,8-13H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 83150671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).