3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline

C12H16Cl2N2 — CID 82089741

IUPAC3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1ccc(NCCN2CCCC2)cc1Cl
InChIInChI=1S/C12H16Cl2N2/c13-11-4-3-10(9-12(11)14)15-5-8-16-6-1-2-7-16/h3-4,9,15H,1-2,5-8H2
InChIKeyDZEIZVBZBPQIFW-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.50
Rot. Bonds4

About 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline

3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 82089741) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID82089741
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1ccc(NCCN2CCCC2)cc1Cl
InChIInChI=1S/C12H16Cl2N2/c13-11-4-3-10(9-12(11)14)15-5-8-16-6-1-2-7-16/h3-4,9,15H,1-2,5-8H2
InChIKeyDZEIZVBZBPQIFW-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54806952
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-bromo-4-fluoro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911912
N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 5039009
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
6-chloro-N-(2-pyrrolidin-1-ylethyl)pyridazin-4-amine
CID 114478103
3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013913
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline (CID 82089741) is 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline is Clc1ccc(NCCN2CCCC2)cc1Cl.
What is the InChIKey of 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is DZEIZVBZBPQIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-11-4-3-10(9-12(11)14)15-5-8-16-6-1-2-7-16/h3-4,9,15H,1-2,5-8H2.
What are the key properties of 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline?
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 259.18 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 82089741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).