[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone

C12H14Cl2N2O — CID 55030511

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESNCC1CCN(C(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c13-9-1-2-11(14)10(5-9)12(17)16-4-3-8(6-15)7-16/h1-2,5,8H,3-4,6-7,15H2
InChIKeyDWWHVZPFQUCDSX-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.41
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 55030511) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
PubChem CID55030511
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESNCC1CCN(C(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c13-9-1-2-11(14)10(5-9)12(17)16-4-3-8(6-15)7-16/h1-2,5,8H,3-4,6-7,15H2
InChIKeyDWWHVZPFQUCDSX-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 62069294
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119485849
[3-(aminomethyl)pyrrolidin-1-yl]-[2-chloro-5-(trifluoromethyl)phenyl]methanone
CID 91795185
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5-chloro-2-propan-2-yloxyphenyl)methanone
CID 124611154
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(4-chlorophenyl)-2-fluorophenyl]methanone;hydrochloride
CID 119486781
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one
CID 119487350
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 124611116
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119484302
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-5-hydroxyphenyl)methanone
CID 125447813
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone (CID 55030511) is [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone is NCC1CCN(C(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is DWWHVZPFQUCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-1-2-11(14)10(5-9)12(17)16-4-3-8(6-15)7-16/h1-2,5,8H,3-4,6-7,15H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 273.16 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 55030511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).