1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol

C13H20ClNO3 — CID 83943372

IUPAC1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
SMILESCOc1cc(OC)c(C(C)CC(O)CN)cc1Cl
InChIInChI=1S/C13H20ClNO3/c1-8(4-9(16)7-15)10-5-11(14)13(18-3)6-12(10)17-2/h5-6,8-9,16H,4,7,15H2,1-3H3
InChIKeyUTDFKEMGDGUXTG-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.17
Rot. Bonds6

About 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol

1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol (PubChem CID 83943372) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
PubChem CID83943372
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
SMILESCOc1cc(OC)c(C(C)CC(O)CN)cc1Cl
InChIInChI=1S/C13H20ClNO3/c1-8(4-9(16)7-15)10-5-11(14)13(18-3)6-12(10)17-2/h5-6,8-9,16H,4,7,15H2,1-3H3
InChIKeyUTDFKEMGDGUXTG-UHFFFAOYSA-N
XLogP2.17
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
1-amino-4-(5-bromo-2,4-dimethoxyphenyl)pentan-2-ol
CID 83925936
1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
CID 83925659
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
CID 83943240
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
CID 83930686
1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene
CID 83943357
4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol
CID 83943493

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol (CID 83943372) is 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol is COc1cc(OC)c(C(C)CC(O)CN)cc1Cl.
What is the InChIKey of 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol?
The InChIKey is UTDFKEMGDGUXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-8(4-9(16)7-15)10-5-11(14)13(18-3)6-12(10)17-2/h5-6,8-9,16H,4,7,15H2,1-3H3.
What are the key properties of 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol?
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol has a molecular weight of 273.76 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol is sourced from PubChem (CID 83943372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).