[1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride

C12H19ClN2O — CID 3072393

IUPAC[1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCOc1cccc(N2CCCC2CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-15-12-6-2-4-10(8-12)14-7-3-5-11(14)9-13;/h2,4,6,8,11H,3,5,7,9,13H2,1H3;1H
InChIKeyACZQVZOXVXKBHU-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.04
Rot. Bonds3

About [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride

[1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 3072393) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID3072393
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name[1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCOc1cccc(N2CCCC2CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-15-12-6-2-4-10(8-12)14-7-3-5-11(14)9-13;/h2,4,6,8,11H,3,5,7,9,13H2,1H3;1H
InChIKeyACZQVZOXVXKBHU-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 3072393) is [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride is COc1cccc(N2CCCC2CN)c1.Cl.
What is the InChIKey of [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is ACZQVZOXVXKBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-15-12-6-2-4-10(8-12)14-7-3-5-11(14)9-13;/h2,4,6,8,11H,3,5,7,9,13H2,1H3;1H.
What are the key properties of [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
[1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 3072393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).