2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol

C18H19Cl2NO2 — CID 75229002

IUPAC2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol
SMILESNC(c1ccc(Cl)c(Cl)c1)C(O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C18H19Cl2NO2/c19-15-8-5-13(9-16(15)20)17(21)18(22)12-3-6-14(7-4-12)23-10-11-1-2-11/h3-9,11,17-18,22H,1-2,10,21H2
InChIKeyZJPFANJVDKHYQD-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.52
Rot. Bonds6

About 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol

2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol (PubChem CID 75229002) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol
PubChem CID75229002
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol
SMILESNC(c1ccc(Cl)c(Cl)c1)C(O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C18H19Cl2NO2/c19-15-8-5-13(9-16(15)20)17(21)18(22)12-3-6-14(7-4-12)23-10-11-1-2-11/h3-9,11,17-18,22H,1-2,10,21H2
InChIKeyZJPFANJVDKHYQD-UHFFFAOYSA-N
XLogP4.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol (CID 75229002) is 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol is NC(c1ccc(Cl)c(Cl)c1)C(O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is ZJPFANJVDKHYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c19-15-8-5-13(9-16(15)20)17(21)18(22)12-3-6-14(7-4-12)23-10-11-1-2-11/h3-9,11,17-18,22H,1-2,10,21H2.
What are the key properties of 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol?
2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 352.26 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 75229002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).