3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal

C18H29NO2 — CID 62276454

IUPAC3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal
SMILESCCC(CC)N(CCOC)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-5-17(6-2)19(12-13-21-4)14-18(3,15-20)16-10-8-7-9-11-16/h7-11,15,17H,5-6,12-14H2,1-4H3
InChIKeyGDJQZWPNJAOJPE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.28
Rot. Bonds10

About 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal

3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal (PubChem CID 62276454) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal
PubChem CID62276454
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal
SMILESCCC(CC)N(CCOC)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-5-17(6-2)19(12-13-21-4)14-18(3,15-20)16-10-8-7-9-11-16/h7-11,15,17H,5-6,12-14H2,1-4H3
InChIKeyGDJQZWPNJAOJPE-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal 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-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
CID 82952847
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276408
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-phenylpropane-1,2-diamine
CID 62488443
3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193802
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
CID 62278320
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
CID 82960250
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588
N-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 63504001

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal?
The IUPAC name of 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal (CID 62276454) is 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal is CCC(CC)N(CCOC)CC(C)(C=O)c1ccccc1.
What is the InChIKey of 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal?
The InChIKey is GDJQZWPNJAOJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-17(6-2)19(12-13-21-4)14-18(3,15-20)16-10-8-7-9-11-16/h7-11,15,17H,5-6,12-14H2,1-4H3.
What are the key properties of 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal?
3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal has a molecular weight of 291.44 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal is sourced from PubChem (CID 62276454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).