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

C14H22ClNO2 — CID 106866698

IUPAC5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-11-4-5-12(13(15)8-11)9-14(17,10-18-2)6-3-7-16/h4-5,8,17H,3,6-7,9-10,16H2,1-2H3
InChIKeyZLQCXOSJFLKTDX-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.31
Rot. Bonds7

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

5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol (PubChem CID 106866698) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol
PubChem CID106866698
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-11-4-5-12(13(15)8-11)9-14(17,10-18-2)6-3-7-16/h4-5,8,17H,3,6-7,9-10,16H2,1-2H3
InChIKeyZLQCXOSJFLKTDX-UHFFFAOYSA-N
XLogP2.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391426
3-(2-chloro-4-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 106866435
1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
CID 106866548
5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol
CID 103391368
7-amino-1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106871174
1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65146932
1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol
CID 102617315
1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol
CID 106866102
3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 106871130
1-(2-chloro-4-methylphenyl)-4-methoxy-3-methylbutan-2-ol
CID 106866649
2-(2-chloro-4-methylphenyl)ethanethioamide
CID 106863362
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 106869532

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol?
The IUPAC name of 5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol (CID 106866698) is 5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol.
What is the SMILES notation for 5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol?
The canonical SMILES for 5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol is COCC(O)(CCCN)Cc1ccc(C)cc1Cl.
What is the InChIKey of 5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol?
The InChIKey is ZLQCXOSJFLKTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-11-4-5-12(13(15)8-11)9-14(17,10-18-2)6-3-7-16/h4-5,8,17H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of 5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol?
5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol is sourced from PubChem (CID 106866698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).