1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol

C11H15Cl2NO2 — CID 83928675

IUPAC1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
SMILESCOc1c(Cl)cc(CCC(O)CN)cc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-16-11-9(12)4-7(5-10(11)13)2-3-8(15)6-14/h4-5,8,15H,2-3,6,14H2,1H3
InChIKeySAPKIFKYRMGVMG-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.25
Rot. Bonds5

About 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol

1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol (PubChem CID 83928675) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
PubChem CID83928675
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
SMILESCOc1c(Cl)cc(CCC(O)CN)cc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-16-11-9(12)4-7(5-10(11)13)2-3-8(15)6-14/h4-5,8,15H,2-3,6,14H2,1H3
InChIKeySAPKIFKYRMGVMG-UHFFFAOYSA-N
XLogP2.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
CID 83938613
2-[2-(3,5-dichloro-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83928638
1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
CID 83937420
1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
CID 83928692
1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine
CID 83928598
1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol
CID 82395060
1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
CID 83925659
(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
CID 95438340
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117372592
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
1-amino-4-(4-propylphenyl)butan-2-ol
CID 83921571

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol (CID 83928675) is 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol is COc1c(Cl)cc(CCC(O)CN)cc1Cl.
What is the InChIKey of 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol?
The InChIKey is SAPKIFKYRMGVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-16-11-9(12)4-7(5-10(11)13)2-3-8(15)6-14/h4-5,8,15H,2-3,6,14H2,1H3.
What are the key properties of 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol?
1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol has a molecular weight of 264.15 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 83928675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).