2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol

C15H26N2O2 — CID 55015957

IUPAC2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)c1ccc(OC)cc1
InChIInChI=1S/C15H26N2O2/c1-3-4-9-17(10-11-18)15(12-16)13-5-7-14(19-2)8-6-13/h5-8,15,18H,3-4,9-12,16H2,1-2H3
InChIKeyVBGOIQVQYRCTHY-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.79
Rot. Bonds9

About 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol

2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol (PubChem CID 55015957) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
PubChem CID55015957
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)c1ccc(OC)cc1
InChIInChI=1S/C15H26N2O2/c1-3-4-9-17(10-11-18)15(12-16)13-5-7-14(19-2)8-6-13/h5-8,15,18H,3-4,9-12,16H2,1-2H3
InChIKeyVBGOIQVQYRCTHY-UHFFFAOYSA-N
XLogP1.79
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol 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-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
CID 169443554
N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 61437202
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-(cyanomethyl)amino]acetonitrile
CID 55015615
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
N,N-diethyl-1-(4-pentoxyphenyl)ethane-1,2-diamine
CID 82043554
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide
CID 55015522
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775
4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol
CID 113499536

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol (CID 55015957) is 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol is CCCCN(CCO)C(CN)c1ccc(OC)cc1.
What is the InChIKey of 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol?
The InChIKey is VBGOIQVQYRCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-4-9-17(10-11-18)15(12-16)13-5-7-14(19-2)8-6-13/h5-8,15,18H,3-4,9-12,16H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol?
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol has a molecular weight of 266.38 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol is sourced from PubChem (CID 55015957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).