1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine

C14H21NO — CID 60696154

IUPAC1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
SMILESCc1cccc(OCCNC(C)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-11-4-3-5-14(10-11)16-9-8-15-12(2)13-6-7-13/h3-5,10,12-13,15H,6-9H2,1-2H3
InChIKeyHIYUPJOOUKWGPO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds6

About 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine

1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine (PubChem CID 60696154) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
PubChem CID60696154
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
SMILESCc1cccc(OCCNC(C)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-11-4-3-5-14(10-11)16-9-8-15-12(2)13-6-7-13/h3-5,10,12-13,15H,6-9H2,1-2H3
InChIKeyHIYUPJOOUKWGPO-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine 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

(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide
CID 60654093
N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
CID 83140423
3-[2-[[(1S)-1-cyclopentylethyl]amino]ethoxy]benzoic acid
CID 103259942
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
CID 62585284
N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 55012623
N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540182
1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 63455557
1-(3,4-difluorophenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60694256

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine (CID 60696154) is 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine is Cc1cccc(OCCNC(C)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine?
The InChIKey is HIYUPJOOUKWGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-3-5-14(10-11)16-9-8-15-12(2)13-6-7-13/h3-5,10,12-13,15H,6-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine?
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 60696154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).