N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine

C14H21ClN2O — CID 115118670

IUPACN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1NC1CCNC1
InChIInChI=1S/C14H21ClN2O/c1-8-9(2)14(18-4)13(10(3)12(8)15)17-11-5-6-16-7-11/h11,16-17H,5-7H2,1-4H3
InChIKeyGQAWGTGCWJQENZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.05
Rot. Bonds3

About N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine

N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine (PubChem CID 115118670) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine
PubChem CID115118670
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1NC1CCNC1
InChIInChI=1S/C14H21ClN2O/c1-8-9(2)14(18-4)13(10(3)12(8)15)17-11-5-6-16-7-11/h11,16-17H,5-7H2,1-4H3
InChIKeyGQAWGTGCWJQENZ-UHFFFAOYSA-N
XLogP3.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine (CID 115118670) is N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine is COc1c(C)c(C)c(Cl)c(C)c1NC1CCNC1.
What is the InChIKey of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine?
The InChIKey is GQAWGTGCWJQENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-8-9(2)14(18-4)13(10(3)12(8)15)17-11-5-6-16-7-11/h11,16-17H,5-7H2,1-4H3.
What are the key properties of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine?
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 115118670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).