[3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride

C18H25Cl2N3O — CID 120773386

IUPAC[3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCC1(CN)CCN(Cc2ccccc2Oc2cccnc2)C1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-18(13-19)8-10-21(14-18)12-15-5-2-3-7-17(15)22-16-6-4-9-20-11-16;;/h2-7,9,11H,8,10,12-14,19H2,1H3;2*1H
InChIKeyNQYOGKPFROQKQO-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.89
Rot. Bonds5

About [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride

[3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride (PubChem CID 120773386) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
PubChem CID120773386
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name[3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCC1(CN)CCN(Cc2ccccc2Oc2cccnc2)C1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-18(13-19)8-10-21(14-18)12-15-5-2-3-7-17(15)22-16-6-4-9-20-11-16;;/h2-7,9,11H,8,10,12-14,19H2,1H3;2*1H
InChIKeyNQYOGKPFROQKQO-UHFFFAOYSA-N
XLogP3.89
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442
[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120780919
2-(2-pyridin-3-yloxyphenyl)ethanamine
CID 63816614
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780454
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120967311
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride (CID 120773386) is [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride is CC1(CN)CCN(Cc2ccccc2Oc2cccnc2)C1.Cl.Cl.
What is the InChIKey of [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
The InChIKey is NQYOGKPFROQKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-18(13-19)8-10-21(14-18)12-15-5-2-3-7-17(15)22-16-6-4-9-20-11-16;;/h2-7,9,11H,8,10,12-14,19H2,1H3;2*1H.
What are the key properties of [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
[3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 120773386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).