N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C13H15Cl3N2 — CID 82853439

IUPACN-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESClc1cc(Cl)c(NC2CCN3CCCC23)cc1Cl
InChIInChI=1S/C13H15Cl3N2/c14-8-6-10(16)12(7-9(8)15)17-11-3-5-18-4-1-2-13(11)18/h6-7,11,13,17H,1-5H2
InChIKeyUOZOBFQQAWCKFF-UHFFFAOYSA-N
MW305.64 g/mol
LogP4.30
Rot. Bonds2

About N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853439) has the molecular formula C13H15Cl3N2 and a molecular weight of 305.64 g/mol. Its IUPAC name is N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853439
Molecular FormulaC13H15Cl3N2
Molecular Weight305.64 g/mol
Exact Mass304.03
IUPAC NameN-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESClc1cc(Cl)c(NC2CCN3CCCC23)cc1Cl
InChIInChI=1S/C13H15Cl3N2/c14-8-6-10(16)12(7-9(8)15)17-11-3-5-18-4-1-2-13(11)18/h6-7,11,13,17H,1-5H2
InChIKeyUOZOBFQQAWCKFF-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-Dichlorophenyl)pyrrolidin-3-amine
CID 59657925
1-(2,4-Dichlorophenyl)pyrrolidin-3-amine
CID 60861626
N-(2,4,5-trichlorophenyl)pyrrolidine
CID 168512071
2,4,5-trichloro-N-(3-fluoropropyl)aniline
CID 81105879
N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 83076211
N-(3,5-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107572394
N'-(2,4,5-trichlorophenyl)ethane-1,2-diamine
CID 23317101
2,4,5-trichloro-N-ethylaniline
CID 28512442
2,4,5-trichloro-N-propan-2-ylaniline
CID 29548761
N-(3,4-dichlorophenyl)pyrrolidin-3-amine
CID 66545632
N-(2,3-dichlorophenyl)pyrrolidin-3-amine
CID 79724215
N-(2,5-dichlorophenyl)pyrrolidin-3-amine
CID 79735446

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853439) is N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Clc1cc(Cl)c(NC2CCN3CCCC23)cc1Cl.
What is the InChIKey of N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is UOZOBFQQAWCKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2/c14-8-6-10(16)12(7-9(8)15)17-11-3-5-18-4-1-2-13(11)18/h6-7,11,13,17H,1-5H2.
What are the key properties of N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 305.64 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).