N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine

C14H18N2O — CID 54950067

IUPACN-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cc3ccccc3o2)C1
InChIInChI=1S/C14H18N2O/c1-16-7-6-12(10-16)15-9-13-8-11-4-2-3-5-14(11)17-13/h2-5,8,12,15H,6-7,9-10H2,1H3
InChIKeyNVDCCOUZBGXWMY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine

N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine (PubChem CID 54950067) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
PubChem CID54950067
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cc3ccccc3o2)C1
InChIInChI=1S/C14H18N2O/c1-16-7-6-12(10-16)15-9-13-8-11-4-2-3-5-14(11)17-13/h2-5,8,12,15H,6-7,9-10H2,1H3
InChIKeyNVDCCOUZBGXWMY-UHFFFAOYSA-N
XLogP2.23
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
(3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 51901465
2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide
CID 43433116
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55386970
N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780960
3-[[(1-methylpyrrolidin-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103245535
N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine
CID 43080449
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine
CID 115710716
2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine
CID 117179242
N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111019
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine (CID 54950067) is N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine is CN1CCC(NCc2cc3ccccc3o2)C1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is NVDCCOUZBGXWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-7-6-12(10-16)15-9-13-8-11-4-2-3-5-14(11)17-13/h2-5,8,12,15H,6-7,9-10H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 54950067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).