N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane

C17H31NO2 — CID 142573770

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane
SMILESCC.CCN(CCc1cc(OC)ccc1OC)C(C)C
InChIInChI=1S/C15H25NO2.C2H6/c1-6-16(12(2)3)10-9-13-11-14(17-4)7-8-15(13)18-5;1-2/h7-8,11-12H,6,9-10H2,1-5H3;1-2H3
InChIKeyKIXFXBNUJZWXGO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.00
Rot. Bonds7

About N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane

N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane (PubChem CID 142573770) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane
PubChem CID142573770
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane
SMILESCC.CCN(CCc1cc(OC)ccc1OC)C(C)C
InChIInChI=1S/C15H25NO2.C2H6/c1-6-16(12(2)3)10-9-13-11-14(17-4)7-8-15(13)18-5;1-2/h7-8,11-12H,6,9-10H2,1-5H3;1-2H3
InChIKeyKIXFXBNUJZWXGO-UHFFFAOYSA-N
XLogP4.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane 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-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107838
N-(2-chloroethyl)-2-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 94272315
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141026
2-(2,5-dimethoxyphenyl)ethyl-methylcyanamide
CID 117043452
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304513
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide
CID 21468763

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane (CID 142573770) is N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane is CC.CCN(CCc1cc(OC)ccc1OC)C(C)C.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane?
The InChIKey is KIXFXBNUJZWXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.C2H6/c1-6-16(12(2)3)10-9-13-11-14(17-4)7-8-15(13)18-5;1-2/h7-8,11-12H,6,9-10H2,1-5H3;1-2H3.
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane?
N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane has a molecular weight of 281.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane is sourced from PubChem (CID 142573770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).