4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride

C18H24ClN3O — CID 120909162

IUPAC4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1cc(CN2CC(C)C(N)C2)ccc1Oc1cccnc1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-13-8-15(11-21-10-14(2)17(19)12-21)5-6-18(13)22-16-4-3-7-20-9-16;/h3-9,14,17H,10-12,19H2,1-2H3;1H
InChIKeyYTDMDKHIRYHJLS-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.38
Rot. Bonds4

About 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride

4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120909162) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120909162
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1cc(CN2CC(C)C(N)C2)ccc1Oc1cccnc1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-13-8-15(11-21-10-14(2)17(19)12-21)5-6-18(13)22-16-4-3-7-20-9-16;/h3-9,14,17H,10-12,19H2,1-2H3;1H
InChIKeyYTDMDKHIRYHJLS-UHFFFAOYSA-N
XLogP3.38
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 75514937
(3-methyl-4-pyridin-3-yloxyphenyl)methanol
CID 62124917
3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine
CID 126784882
1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768294
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
4-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909460
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606
4-[[(3-methyl-4-pyridin-3-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962532
3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
CID 56722412
4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine
CID 120909410
1-[[4-(4-fluorophenoxy)-3-nitrophenyl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909878
1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909014

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120909162) is 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride is Cc1cc(CN2CC(C)C(N)C2)ccc1Oc1cccnc1.Cl.
What is the InChIKey of 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is YTDMDKHIRYHJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.ClH/c1-13-8-15(11-21-10-14(2)17(19)12-21)5-6-18(13)22-16-4-3-7-20-9-16;/h3-9,14,17H,10-12,19H2,1-2H3;1H.
What are the key properties of 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).