[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride

C19H23ClN2O2 — CID 120806066

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-19(13-20)10-11-21(14-19)18(22)15-6-5-9-17(12-15)23-16-7-3-2-4-8-16;/h2-9,12H,10-11,13-14,20H2,1H3;1H
InChIKeyDOBFZOVUQPDRLR-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.71
Rot. Bonds4

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride (PubChem CID 120806066) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
PubChem CID120806066
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-19(13-20)10-11-21(14-19)18(22)15-6-5-9-17(12-15)23-16-7-3-2-4-8-16;/h2-9,12H,10-11,13-14,20H2,1H3;1H
InChIKeyDOBFZOVUQPDRLR-UHFFFAOYSA-N
XLogP3.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 120807953
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 120808403
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120808264
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 120807745
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 120804908
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 120809683
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120806512
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 120804520
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120809182
[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride
CID 120808564

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride (CID 120806066) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride is CC1(CN)CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride?
The InChIKey is DOBFZOVUQPDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-19(13-20)10-11-21(14-19)18(22)15-6-5-9-17(12-15)23-16-7-3-2-4-8-16;/h2-9,12H,10-11,13-14,20H2,1H3;1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 120806066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).