1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine

C16H27NO — CID 62303499

IUPAC1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cc(C)ccc1OCC
InChIInChI=1S/C16H27NO/c1-6-8-13(4)16(17-5)14-11-12(3)9-10-15(14)18-7-2/h9-11,13,16-17H,6-8H2,1-5H3
InChIKeyHAUQQQZHJOUYSP-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.09
Rot. Bonds7

About 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine

1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine (PubChem CID 62303499) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
PubChem CID62303499
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cc(C)ccc1OCC
InChIInChI=1S/C16H27NO/c1-6-8-13(4)16(17-5)14-11-12(3)9-10-15(14)18-7-2/h9-11,13,16-17H,6-8H2,1-5H3
InChIKeyHAUQQQZHJOUYSP-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-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

1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323
2-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 116718746
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315218
1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine
CID 63505527
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
2-(4-chlorobutan-2-yl)-1-ethoxy-4-methylbenzene
CID 83933609
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704
N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 43589022
1-(2-ethoxy-5-methylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518845
1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine
CID 65438768

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine (CID 62303499) is 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)c1cc(C)ccc1OCC.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine?
The InChIKey is HAUQQQZHJOUYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-8-13(4)16(17-5)14-11-12(3)9-10-15(14)18-7-2/h9-11,13,16-17H,6-8H2,1-5H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine?
1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 62303499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).