2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline

C13H18Cl2N2 — CID 65498984

IUPAC2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESClc1cccc(Cl)c1NCCCN1CCCC1
InChIInChI=1S/C13H18Cl2N2/c14-11-5-3-6-12(15)13(11)16-7-4-10-17-8-1-2-9-17/h3,5-6,16H,1-2,4,7-10H2
InChIKeyKOZZIEUOGYRESH-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.89
Rot. Bonds5

About 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline

2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 65498984) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
PubChem CID65498984
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESClc1cccc(Cl)c1NCCCN1CCCC1
InChIInChI=1S/C13H18Cl2N2/c14-11-5-3-6-12(15)13(11)16-7-4-10-17-8-1-2-9-17/h3,5-6,16H,1-2,4,7-10H2
InChIKeyKOZZIEUOGYRESH-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 63487853
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 62331138
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
3,5-dichloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 107574009
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016
5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide
CID 56955991
2-chloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960814
4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 114014994
3-bromo-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 59590019
N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
CID 112764661
N-[(3-chloro-2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107096728

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline (CID 65498984) is 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline is Clc1cccc(Cl)c1NCCCN1CCCC1.
What is the InChIKey of 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is KOZZIEUOGYRESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-11-5-3-6-12(15)13(11)16-7-4-10-17-8-1-2-9-17/h3,5-6,16H,1-2,4,7-10H2.
What are the key properties of 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 273.21 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 65498984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).