3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol

C13H20ClNO2 — CID 114358313

IUPAC3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol
SMILESCCCC(N)C(CO)Oc1cc(Cl)ccc1C
InChIInChI=1S/C13H20ClNO2/c1-3-4-11(15)13(8-16)17-12-7-10(14)6-5-9(12)2/h5-7,11,13,16H,3-4,8,15H2,1-2H3
InChIKeySVGLIOLHACMXBN-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.52
Rot. Bonds6

About 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol

3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol (PubChem CID 114358313) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol
PubChem CID114358313
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol
SMILESCCCC(N)C(CO)Oc1cc(Cl)ccc1C
InChIInChI=1S/C13H20ClNO2/c1-3-4-11(15)13(8-16)17-12-7-10(14)6-5-9(12)2/h5-7,11,13,16H,3-4,8,15H2,1-2H3
InChIKeySVGLIOLHACMXBN-UHFFFAOYSA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol
CID 114357844
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
3-amino-2-(2-methoxyphenoxy)hexan-1-ol
CID 114357945
3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 114358201
N-[2-(5-chloro-2-methylphenoxy)pentyl]cyclopropanamine
CID 83045481
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
(5-chloro-2-methylphenyl) propanoate
CID 131155608
ethyl 2-(5-chloro-2-fluorobenzoyl)pentanoate
CID 114887658
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 114358206
3-(2-methyl-5-propan-2-ylphenoxy)heptan-4-ol
CID 63465952
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol?
The IUPAC name of 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol (CID 114358313) is 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol?
The canonical SMILES for 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol is CCCC(N)C(CO)Oc1cc(Cl)ccc1C.
What is the InChIKey of 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol?
The InChIKey is SVGLIOLHACMXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-4-11(15)13(8-16)17-12-7-10(14)6-5-9(12)2/h5-7,11,13,16H,3-4,8,15H2,1-2H3.
What are the key properties of 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol?
3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol is sourced from PubChem (CID 114358313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).