N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

C16H26N2O — CID 79540182

IUPACN-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCc1cccc(OCCNC(C)CC2CCCN2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-3-7-16(11-13)19-10-9-17-14(2)12-15-6-4-8-18-15/h3,5,7,11,14-15,17-18H,4,6,8-10,12H2,1-2H3
InChIKeyGYRDRUGCOVHOQN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79540182) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79540182
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCc1cccc(OCCNC(C)CC2CCCN2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-3-7-16(11-13)19-10-9-17-14(2)12-15-6-4-8-18-15/h3,5,7,11,14-15,17-18H,4,6,8-10,12H2,1-2H3
InChIKeyGYRDRUGCOVHOQN-UHFFFAOYSA-N
XLogP2.49
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.49
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-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-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

2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
2-[2-(3-methylphenoxy)propyl]piperidine
CID 105493585
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide
CID 60654093
N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79537589
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine
CID 114829611
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
N-(2-cyclopentyloxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79539845
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79537731
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 79540182) is N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is Cc1cccc(OCCNC(C)CC2CCCN2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is GYRDRUGCOVHOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-3-7-16(11-13)19-10-9-17-14(2)12-15-6-4-8-18-15/h3,5,7,11,14-15,17-18H,4,6,8-10,12H2,1-2H3.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79540182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).