[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C16H22Cl2N2O — CID 119538567

IUPAC[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1.Cl
InChIInChI=1S/C16H21ClN2O.ClH/c1-18-10-12-5-8-19(11-12)15(20)16(6-7-16)13-3-2-4-14(17)9-13;/h2-4,9,12,18H,5-8,10-11H2,1H3;1H
InChIKeyMRSUBJMPBYBPKV-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.86
Rot. Bonds4

About [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119538567) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119538567
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1.Cl
InChIInChI=1S/C16H21ClN2O.ClH/c1-18-10-12-5-8-19(11-12)15(20)16(6-7-16)13-3-2-4-14(17)9-13;/h2-4,9,12,18H,5-8,10-11H2,1H3;1H
InChIKeyMRSUBJMPBYBPKV-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119542396
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 56813617
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540306
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542872
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119538567) is [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1.Cl.
What is the InChIKey of [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is MRSUBJMPBYBPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O.ClH/c1-18-10-12-5-8-19(11-12)15(20)16(6-7-16)13-3-2-4-14(17)9-13;/h2-4,9,12,18H,5-8,10-11H2,1H3;1H.
What are the key properties of [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 329.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119538567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).