1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine

C13H18Cl2N2 — CID 103975543

IUPAC1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c1-9(16)10-5-6-17(7-10)8-11-3-2-4-12(14)13(11)15/h2-4,9-10H,5-8,16H2,1H3
InChIKeyOTYVERYVEMYLPJ-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.16
Rot. Bonds3

About 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine

1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975543) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975543
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c1-9(16)10-5-6-17(7-10)8-11-3-2-4-12(14)13(11)15/h2-4,9-10H,5-8,16H2,1H3
InChIKeyOTYVERYVEMYLPJ-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120841087
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975682
1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838218
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
1-[1-[[2-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975618
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63848044
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine
CID 133133036

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine (CID 103975543) is 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is OTYVERYVEMYLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9(16)10-5-6-17(7-10)8-11-3-2-4-12(14)13(11)15/h2-4,9-10H,5-8,16H2,1H3.
What are the key properties of 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 273.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).