1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol

C13H20ClNO2 — CID 83937557

IUPAC1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
SMILESCOc1cc(C)c(Cl)cc1C(C)CC(O)CN
InChIInChI=1S/C13H20ClNO2/c1-8(4-10(16)7-15)11-6-12(14)9(2)5-13(11)17-3/h5-6,8,10,16H,4,7,15H2,1-3H3
InChIKeyOICCRIPOZCATRJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.47
Rot. Bonds5

About 1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol

1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol (PubChem CID 83937557) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
PubChem CID83937557
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
SMILESCOc1cc(C)c(Cl)cc1C(C)CC(O)CN
InChIInChI=1S/C13H20ClNO2/c1-8(4-10(16)7-15)11-6-12(14)9(2)5-13(11)17-3/h5-6,8,10,16H,4,7,15H2,1-3H3
InChIKeyOICCRIPOZCATRJ-UHFFFAOYSA-N
XLogP2.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
1-amino-4-(5-bromo-2,4-dimethoxyphenyl)pentan-2-ol
CID 83925936
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
1-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933090
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
CID 83925659
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 116863542
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol (CID 83937557) is 1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol is COc1cc(C)c(Cl)cc1C(C)CC(O)CN.
What is the InChIKey of 1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol?
The InChIKey is OICCRIPOZCATRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-8(4-10(16)7-15)11-6-12(14)9(2)5-13(11)17-3/h5-6,8,10,16H,4,7,15H2,1-3H3.
What are the key properties of 1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol?
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.47, 5 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-methoxy-4-methylphenyl)pentan-2-ol is sourced from PubChem (CID 83937557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).