N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine

C13H19ClN2O — CID 107423565

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCCOc2cccc(Cl)c2)CCNC1
InChIInChI=1S/C13H19ClN2O/c1-13(5-6-15-10-13)16-7-8-17-12-4-2-3-11(14)9-12/h2-4,9,15-16H,5-8,10H2,1H3
InChIKeyYRKNRHATJNOEPT-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine

N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine (PubChem CID 107423565) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine
PubChem CID107423565
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCCOc2cccc(Cl)c2)CCNC1
InChIInChI=1S/C13H19ClN2O/c1-13(5-6-15-10-13)16-7-8-17-12-4-2-3-11(14)9-12/h2-4,9,15-16H,5-8,10H2,1H3
InChIKeyYRKNRHATJNOEPT-UHFFFAOYSA-N
XLogP2.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-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

Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623811
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119695349
N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423450
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119295699
N-[2-(3-chlorophenoxy)ethyl]butan-1-amine
CID 60684753
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine
CID 94684961
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine (CID 107423565) is N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine is CC1(NCCOc2cccc(Cl)c2)CCNC1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine?
The InChIKey is YRKNRHATJNOEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(5-6-15-10-13)16-7-8-17-12-4-2-3-11(14)9-12/h2-4,9,15-16H,5-8,10H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine?
N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107423565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).