5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol

C13H20ClNO2 — CID 103391426

IUPAC5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-17-10-13(16,7-4-8-15)9-11-5-2-3-6-12(11)14/h2-3,5-6,16H,4,7-10,15H2,1H3
InChIKeyPMCHBCRVEJBVGQ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.00
Rot. Bonds7

About 5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol

5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol (PubChem CID 103391426) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
PubChem CID103391426
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-17-10-13(16,7-4-8-15)9-11-5-2-3-6-12(11)14/h2-3,5-6,16H,4,7-10,15H2,1H3
InChIKeyPMCHBCRVEJBVGQ-UHFFFAOYSA-N
XLogP2.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol
CID 106866698
5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391315
5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol
CID 103391368
4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392697
1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol
CID 102617315
2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol
CID 106506462
1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine
CID 107307759
2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500955
1,2-dichloro-3-(2-chlorophenyl)propan-2-ol
CID 142071563
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate
CID 84731019
5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol
CID 103391600

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol?
The IUPAC name of 5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol (CID 103391426) is 5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol.
What is the SMILES notation for 5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol?
The canonical SMILES for 5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol is COCC(O)(CCCN)Cc1ccccc1Cl.
What is the InChIKey of 5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol?
The InChIKey is PMCHBCRVEJBVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-17-10-13(16,7-4-8-15)9-11-5-2-3-6-12(11)14/h2-3,5-6,16H,4,7-10,15H2,1H3.
What are the key properties of 5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol?
5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.00, 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-chlorophenyl)-2-(methoxymethyl)pentan-2-ol is sourced from PubChem (CID 103391426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).