3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine

C17H29NO — CID 116717295

IUPAC3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(CC)OCC
InChIInChI=1S/C17H29NO/c1-5-12-18-16(17(6-2)19-7-3)13-15-11-9-8-10-14(15)4/h8-11,16-18H,5-7,12-13H2,1-4H3
InChIKeyNIZPHTMCMCCPQN-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.72
Rot. Bonds9

About 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine

3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine (PubChem CID 116717295) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
PubChem CID116717295
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(CC)OCC
InChIInChI=1S/C17H29NO/c1-5-12-18-16(17(6-2)19-7-3)13-15-11-9-8-10-14(15)4/h8-11,16-18H,5-7,12-13H2,1-4H3
InChIKeyNIZPHTMCMCCPQN-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-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

3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116717105
1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine
CID 116717090
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116761381

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine (CID 116717295) is 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1ccccc1C)C(CC)OCC.
What is the InChIKey of 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is NIZPHTMCMCCPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-12-18-16(17(6-2)19-7-3)13-15-11-9-8-10-14(15)4/h8-11,16-18H,5-7,12-13H2,1-4H3.
What are the key properties of 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine?
3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 116717295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).