[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C16H21Cl3N2O — CID 119539791

IUPAC[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)C1.Cl
InChIInChI=1S/C16H20Cl2N2O.ClH/c1-19-8-10-4-5-20(9-10)16(21)13-7-12(13)11-2-3-14(17)15(18)6-11;/h2-3,6,10,12-13,19H,4-5,7-9H2,1H3;1H
InChIKeyCCZPCMILRLAVRE-UHFFFAOYSA-N
MW363.72 g/mol
LogP3.59
Rot. Bonds4

About [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119539791) has the molecular formula C16H21Cl3N2O and a molecular weight of 363.72 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119539791
Molecular FormulaC16H21Cl3N2O
Molecular Weight363.72 g/mol
Exact Mass362.07
IUPAC Name[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)C1.Cl
InChIInChI=1S/C16H20Cl2N2O.ClH/c1-19-8-10-4-5-20(9-10)16(21)13-7-12(13)11-2-3-14(17)15(18)6-11;/h2-3,6,10,12-13,19H,4-5,7-9H2,1H3;1H
InChIKeyCCZPCMILRLAVRE-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119540877
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134576
[(1R,2R)-2-(3-bromophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124779684
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124779499
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248
[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623002
[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119397312
[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone
CID 75437645
[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119545280
[2-(2,6-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539938
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546451

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119539791) is [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)C1.Cl.
What is the InChIKey of [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is CCZPCMILRLAVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O.ClH/c1-19-8-10-4-5-20(9-10)16(21)13-7-12(13)11-2-3-14(17)15(18)6-11;/h2-3,6,10,12-13,19H,4-5,7-9H2,1H3;1H.
What are the key properties of [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 363.72 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119539791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).