2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol

C14H21F3N2O2 — CID 83921180

IUPAC2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol
SMILESCCOc1ccc(C(F)(F)F)cc1C(O)C(N)CCNC
InChIInChI=1S/C14H21F3N2O2/c1-3-21-12-5-4-9(14(15,16)17)8-10(12)13(20)11(18)6-7-19-2/h4-5,8,11,13,19-20H,3,6-7,18H2,1-2H3
InChIKeyMBDKOXLJKQFJNG-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.07
Rot. Bonds7

About 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol

2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol (PubChem CID 83921180) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol
PubChem CID83921180
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol
SMILESCCOc1ccc(C(F)(F)F)cc1C(O)C(N)CCNC
InChIInChI=1S/C14H21F3N2O2/c1-3-21-12-5-4-9(14(15,16)17)8-10(12)13(20)11(18)6-7-19-2/h4-5,8,11,13,19-20H,3,6-7,18H2,1-2H3
InChIKeyMBDKOXLJKQFJNG-UHFFFAOYSA-N
XLogP2.07
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol 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-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol
CID 83921398
2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol
CID 83921250
2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
CID 83933377
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
1-[2-amino-5-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890868
2-amino-1-(2-ethoxy-3,5-dimethylphenyl)-4-(methylamino)butan-1-ol
CID 83942048
1-[2-amino-4-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890869
2-amino-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-(methylamino)butan-1-ol
CID 83938839
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
2-[1,2-dihydroxy-4-(methylamino)butyl]-4-(trifluoromethyl)benzoic acid
CID 171891161

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol?
The IUPAC name of 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol (CID 83921180) is 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol.
What is the SMILES notation for 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol?
The canonical SMILES for 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol is CCOc1ccc(C(F)(F)F)cc1C(O)C(N)CCNC.
What is the InChIKey of 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol?
The InChIKey is MBDKOXLJKQFJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-3-21-12-5-4-9(14(15,16)17)8-10(12)13(20)11(18)6-7-19-2/h4-5,8,11,13,19-20H,3,6-7,18H2,1-2H3.
What are the key properties of 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol?
2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol has a molecular weight of 306.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol is sourced from PubChem (CID 83921180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).