2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline

C13H19ClN2 — CID 84799410

IUPAC2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline
SMILESCN(C)c1ccc(CC2CCNC2)cc1Cl
InChIInChI=1S/C13H19ClN2/c1-16(2)13-4-3-10(8-12(13)14)7-11-5-6-15-9-11/h3-4,8,11,15H,5-7,9H2,1-2H3
InChIKeyZVUQKBGJNJUSDZ-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.56
Rot. Bonds3

About 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline

2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline (PubChem CID 84799410) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline
PubChem CID84799410
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline
SMILESCN(C)c1ccc(CC2CCNC2)cc1Cl
InChIInChI=1S/C13H19ClN2/c1-16(2)13-4-3-10(8-12(13)14)7-11-5-6-15-9-11/h3-4,8,11,15H,5-7,9H2,1-2H3
InChIKeyZVUQKBGJNJUSDZ-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline
CID 117117892
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943
3-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 84802170
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
2-chloro-4-methoxy-N-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210675
3-[(3-bromo-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 84812337
3-[(3-bromo-4-methylsulfanylphenyl)methyl]pyrrolidine
CID 84813773
4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 117456610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline?
The IUPAC name of 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline (CID 84799410) is 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline?
The canonical SMILES for 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline is CN(C)c1ccc(CC2CCNC2)cc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline?
The InChIKey is ZVUQKBGJNJUSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16(2)13-4-3-10(8-12(13)14)7-11-5-6-15-9-11/h3-4,8,11,15H,5-7,9H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline?
2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline has a molecular weight of 238.76 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline is sourced from PubChem (CID 84799410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).