3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol

C12H18ClNO2 — CID 103377250

IUPAC3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
SMILESCC(O)C(C)OC(CN)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-8(15)9(2)16-12(7-14)10-4-3-5-11(13)6-10/h3-6,8-9,12,15H,7,14H2,1-2H3
InChIKeyUPWPLTQUNZHART-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.13
Rot. Bonds5

About 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol

3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol (PubChem CID 103377250) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
PubChem CID103377250
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
SMILESCC(O)C(C)OC(CN)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-8(15)9(2)16-12(7-14)10-4-3-5-11(13)6-10/h3-6,8-9,12,15H,7,14H2,1-2H3
InChIKeyUPWPLTQUNZHART-UHFFFAOYSA-N
XLogP2.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377072
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
3-(3-chlorophenyl)butan-2-ol
CID 66437186
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63459198
1-chloro-3-(2-iodo-1-propan-2-yloxyethyl)benzene
CID 114772102
1-(3-chlorophenyl)ethyl carbamate
CID 121415275
3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol
CID 103377013
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63458293

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol?
The IUPAC name of 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol (CID 103377250) is 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol.
What is the SMILES notation for 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol?
The canonical SMILES for 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol is CC(O)C(C)OC(CN)c1cccc(Cl)c1.
What is the InChIKey of 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol?
The InChIKey is UPWPLTQUNZHART-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-8(15)9(2)16-12(7-14)10-4-3-5-11(13)6-10/h3-6,8-9,12,15H,7,14H2,1-2H3.
What are the key properties of 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol?
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol is sourced from PubChem (CID 103377250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).