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

C15H24ClNO2 — CID 83940663

IUPAC4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
SMILESCCOc1c(C)cc(Cl)c(C)c1CCC(O)C(C)N
InChIInChI=1S/C15H24ClNO2/c1-5-19-15-9(2)8-13(16)10(3)12(15)6-7-14(18)11(4)17/h8,11,14,18H,5-7,17H2,1-4H3
InChIKeyRNCZRSAXXRIVOW-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.00
Rot. Bonds6

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

4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol (PubChem CID 83940663) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol.

Molecular Properties

Compound Name4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
PubChem CID83940663
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
SMILESCCOc1c(C)cc(Cl)c(C)c1CCC(O)C(C)N
InChIInChI=1S/C15H24ClNO2/c1-5-19-15-9(2)8-13(16)10(3)12(15)6-7-14(18)11(4)17/h8,11,14,18H,5-7,17H2,1-4H3
InChIKeyRNCZRSAXXRIVOW-UHFFFAOYSA-N
XLogP3.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
CID 83940650
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
CID 83940579
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
CID 83940649
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
CID 83937949
2-[1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)propan-2-yl]-3-methyloxirane
CID 83940660
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979
5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
CID 83939528
5-chloro-2-ethoxy-3,6-dimethylbenzamide
CID 82266739
4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
CID 83941378
2-[3-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-yl]propane-1,3-diamine
CID 83940614

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol?
The IUPAC name of 4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol (CID 83940663) is 4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol.
What is the SMILES notation for 4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol?
The canonical SMILES for 4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol is CCOc1c(C)cc(Cl)c(C)c1CCC(O)C(C)N.
What is the InChIKey of 4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol?
The InChIKey is RNCZRSAXXRIVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-5-19-15-9(2)8-13(16)10(3)12(15)6-7-14(18)11(4)17/h8,11,14,18H,5-7,17H2,1-4H3.
What are the key properties of 4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol?
4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol has a molecular weight of 285.82 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol is sourced from PubChem (CID 83940663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).