N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C17H26N2O — CID 106604004

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc2c(c1)CCO2)CC1CCCN1
InChIInChI=1S/C17H26N2O/c1-2-9-19(13-16-4-3-8-18-16)12-14-5-6-17-15(11-14)7-10-20-17/h5-6,11,16,18H,2-4,7-10,12-13H2,1H3
InChIKeyJQWQTFGOEXZBLX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106604004) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106604004
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc2c(c1)CCO2)CC1CCCN1
InChIInChI=1S/C17H26N2O/c1-2-9-19(13-16-4-3-8-18-16)12-14-5-6-17-15(11-14)7-10-20-17/h5-6,11,16,18H,2-4,7-10,12-13H2,1H3
InChIKeyJQWQTFGOEXZBLX-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582
N-[(3-bromo-4-chlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603964
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
N-[[4-(2-methylpropyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603955
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604779
2-methoxy-4-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]benzonitrile
CID 106792877
N-[[3-(methoxymethyl)phenyl]methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623591
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106604712
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine
CID 66181570
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790
N-(pyrrolidin-2-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 106603917

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106604004) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(Cc1ccc2c(c1)CCO2)CC1CCCN1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is JQWQTFGOEXZBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-9-19(13-16-4-3-8-18-16)12-14-5-6-17-15(11-14)7-10-20-17/h5-6,11,16,18H,2-4,7-10,12-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106604004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).