[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C15H21ClN2O — CID 120780518

IUPAC[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2cc3ccccc3o2)C1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-15(10-16)6-7-17(11-15)9-13-8-12-4-2-3-5-14(12)18-13;/h2-5,8H,6-7,9-11,16H2,1H3;1H
InChIKeyDGTZOFULUMPKOW-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.03
Rot. Bonds3

About [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780518) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780518
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2cc3ccccc3o2)C1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-15(10-16)6-7-17(11-15)9-13-8-12-4-2-3-5-14(12)18-13;/h2-5,8H,6-7,9-11,16H2,1H3;1H
InChIKeyDGTZOFULUMPKOW-UHFFFAOYSA-N
XLogP3.03
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780711
1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride
CID 57395907
[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772336
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967309
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771
8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143522
(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-amine
CID 139674632
[1-[(4-bromo-2-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781223
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773740

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120780518) is [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(Cc2cc3ccccc3o2)C1.Cl.
What is the InChIKey of [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is DGTZOFULUMPKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-15(10-16)6-7-17(11-15)9-13-8-12-4-2-3-5-14(12)18-13;/h2-5,8H,6-7,9-11,16H2,1H3;1H.
What are the key properties of [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).