2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

C13H18Cl2N2 — CID 54881976

IUPAC2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2/c1-9-3-2-6-17(9)13(8-16)10-4-5-11(14)12(15)7-10/h4-5,7,9,13H,2-3,6,8,16H2,1H3
InChIKeyRBNZVUBQHSXSBD-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.48
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (PubChem CID 54881976) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
PubChem CID54881976
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2/c1-9-3-2-6-17(9)13(8-16)10-4-5-11(14)12(15)7-10/h4-5,7,9,13H,2-3,6,8,16H2,1H3
InChIKeyRBNZVUBQHSXSBD-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 62330318
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43180363
2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124067
2-(2-methylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 60973443
2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 114937035
2-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 81144769
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817511
2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 61441053
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 102838519

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (CID 54881976) is 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is CC1CCCN1C(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is RBNZVUBQHSXSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9-3-2-6-17(9)13(8-16)10-4-5-11(14)12(15)7-10/h4-5,7,9,13H,2-3,6,8,16H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 273.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 54881976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).