N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine

C13H18Cl2N2 — CID 54792830

IUPACN-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H18Cl2N2/c1-2-16-8-10-5-6-17(9-10)11-3-4-12(14)13(15)7-11/h3-4,7,10,16H,2,5-6,8-9H2,1H3
InChIKeyFBUHNWFCAUITSQ-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.43
Rot. Bonds4

About N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 54792830) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID54792830
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H18Cl2N2/c1-2-16-8-10-5-6-17(9-10)11-3-4-12(14)13(15)7-11/h3-4,7,10,16H,2,5-6,8-9H2,1H3
InChIKeyFBUHNWFCAUITSQ-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62513771
N-[[1-(4-bromo-3-chlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107613124
N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62914683
N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62634247
N-[[1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55082717
N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513267
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
1-(3,4-dichlorophenyl)-3-(2-methylsulfonylethyl)pyrrolidine
CID 140978552
N-[[1-(3-propan-2-yloxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792855
N-[[1-(2-chloro-4,6-difluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 83088385
N-[[1-(3,5-dichlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513027
N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62592344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine (CID 54792830) is N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is FBUHNWFCAUITSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-2-16-8-10-5-6-17(9-10)11-3-4-12(14)13(15)7-11/h3-4,7,10,16H,2,5-6,8-9H2,1H3.
What are the key properties of N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 273.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 54792830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).