N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine

C19H33NO — CID 105035820

IUPACN,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccccc1OCCC
InChIInChI=1S/C19H33NO/c1-5-9-12-16(7-3)19(20-8-4)17-13-10-11-14-18(17)21-15-6-2/h10-11,13-14,16,19-20H,5-9,12,15H2,1-4H3
InChIKeyGMMJUBKTCPMWCR-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.34
Rot. Bonds11

About N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine

N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine (PubChem CID 105035820) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
PubChem CID105035820
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccccc1OCCC
InChIInChI=1S/C19H33NO/c1-5-9-12-16(7-3)19(20-8-4)17-13-10-11-14-18(17)21-15-6-2/h10-11,13-14,16,19-20H,5-9,12,15H2,1-4H3
InChIKeyGMMJUBKTCPMWCR-UHFFFAOYSA-N
XLogP5.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2-diethyl-1-(2-propoxyphenyl)hexan-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

N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935
1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 43493531
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
2-ethyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylbutan-1-amine
CID 105035375
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 105022228
N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 116719019
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
1-(2-propoxyphenyl)octylhydrazine
CID 105334374
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104660529

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine?
The IUPAC name of N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine (CID 105035820) is N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine is CCCCC(CC)C(NCC)c1ccccc1OCCC.
What is the InChIKey of N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine?
The InChIKey is GMMJUBKTCPMWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-9-12-16(7-3)19(20-8-4)17-13-10-11-14-18(17)21-15-6-2/h10-11,13-14,16,19-20H,5-9,12,15H2,1-4H3.
What are the key properties of N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine?
N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine is sourced from PubChem (CID 105035820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).