1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol

C14H22ClNO2 — CID 83940650

IUPAC1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
SMILESCCOc1c(C)cc(Cl)c(C)c1CCC(O)CN
InChIInChI=1S/C14H22ClNO2/c1-4-18-14-9(2)7-13(15)10(3)12(14)6-5-11(17)8-16/h7,11,17H,4-6,8,16H2,1-3H3
InChIKeyODZITWUOVZYREE-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.61
Rot. Bonds6

About 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol

1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol (PubChem CID 83940650) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
PubChem CID83940650
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
SMILESCCOc1c(C)cc(Cl)c(C)c1CCC(O)CN
InChIInChI=1S/C14H22ClNO2/c1-4-18-14-9(2)7-13(15)10(3)12(14)6-5-11(17)8-16/h7,11,17H,4-6,8,16H2,1-3H3
InChIKeyODZITWUOVZYREE-UHFFFAOYSA-N
XLogP2.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
CID 83940579
4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
CID 83940663
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616
1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol
CID 83941469
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
CID 83940649
2-[3-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-yl]propane-1,3-diamine
CID 83940614
2-[1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)propan-2-yl]-3-methyloxirane
CID 83940660
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998
5-chloro-2-ethoxy-3,6-dimethylbenzamide
CID 82266739
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
CID 83937420
1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
CID 83928675

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol (CID 83940650) is 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol is CCOc1c(C)cc(Cl)c(C)c1CCC(O)CN.
What is the InChIKey of 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol?
The InChIKey is ODZITWUOVZYREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-18-14-9(2)7-13(15)10(3)12(14)6-5-11(17)8-16/h7,11,17H,4-6,8,16H2,1-3H3.
What are the key properties of 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol?
1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol is sourced from PubChem (CID 83940650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).