1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine

C15H24ClN3 — CID 114851050

IUPAC1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCNCc1ccc(Cl)cc1N1CCC(N(C)C)C1
InChIInChI=1S/C15H24ClN3/c1-4-17-10-12-5-6-13(16)9-15(12)19-8-7-14(11-19)18(2)3/h5-6,9,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyZMOIWTUBEJASDF-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.59
Rot. Bonds5

About 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine

1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 114851050) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID114851050
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCNCc1ccc(Cl)cc1N1CCC(N(C)C)C1
InChIInChI=1S/C15H24ClN3/c1-4-17-10-12-5-6-13(16)9-15(12)19-8-7-14(11-19)18(2)3/h5-6,9,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyZMOIWTUBEJASDF-UHFFFAOYSA-N
XLogP2.59
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851035
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
CID 114852089
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine
CID 114846746
N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114847648
N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851009
2-[4-[5-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848526
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63165160
1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol
CID 114853985
1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164477

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine (CID 114851050) is 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine is CCNCc1ccc(Cl)cc1N1CCC(N(C)C)C1.
What is the InChIKey of 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ZMOIWTUBEJASDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-4-17-10-12-5-6-13(16)9-15(12)19-8-7-14(11-19)18(2)3/h5-6,9,14,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine?
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 281.83 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 114851050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).