N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine

C14H21NO — CID 61311612

IUPACN-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
SMILESCCOCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C14H21NO/c1-2-16-11-10-15-14(13-8-9-13)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyNWQORVKRVQDXSE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine

N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine (PubChem CID 61311612) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
PubChem CID61311612
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
SMILESCCOCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C14H21NO/c1-2-16-11-10-15-14(13-8-9-13)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyNWQORVKRVQDXSE-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine 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

3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898221
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 61312376
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine (CID 61311612) is N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine is CCOCCNC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine?
The InChIKey is NWQORVKRVQDXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-16-11-10-15-14(13-8-9-13)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine?
N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine is sourced from PubChem (CID 61311612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).