N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine

C15H25FN2O — CID 115206517

IUPACN'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCCOc1ccc(CN(C)CCNC(C)C)cc1F
InChIInChI=1S/C15H25FN2O/c1-5-19-15-7-6-13(10-14(15)16)11-18(4)9-8-17-12(2)3/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyKNKOIEFZALVSAI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.65
Rot. Bonds8

About N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 115206517) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID115206517
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCCOc1ccc(CN(C)CCNC(C)C)cc1F
InChIInChI=1S/C15H25FN2O/c1-5-19-15-7-6-13(10-14(15)16)11-18(4)9-8-17-12(2)3/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyKNKOIEFZALVSAI-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine 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

2-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]acetaldehyde
CID 115223071
5-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]pentan-2-one
CID 115236597
4-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]butanoic acid
CID 115218662
3-N-[(4-ethoxy-3-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119848
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
2-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840428
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55091045
2-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]propanenitrile
CID 115130268
2-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]-2-oxoacetic acid
CID 115141390
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137706
2-[(4-ethoxy-3-fluorophenyl)methyl-propan-2-ylamino]acetic acid
CID 122043954
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 115206517) is N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine is CCOc1ccc(CN(C)CCNC(C)C)cc1F.
What is the InChIKey of N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is KNKOIEFZALVSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-19-15-7-6-13(10-14(15)16)11-18(4)9-8-17-12(2)3/h6-7,10,12,17H,5,8-9,11H2,1-4H3.
What are the key properties of N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).