4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol

C15H24ClNO3 — CID 83943375

IUPAC4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H24ClNO3/c1-4-5-12(17)13(18)7-6-10-8-11(16)15(20-3)9-14(10)19-2/h8-9,12-13,18H,4-7,17H2,1-3H3
InChIKeyNSOPGJKLJCKYQQ-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.78
Rot. Bonds8

About 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol

4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol (PubChem CID 83943375) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol.

Molecular Properties

Compound Name4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
PubChem CID83943375
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H24ClNO3/c1-4-5-12(17)13(18)7-6-10-8-11(16)15(20-3)9-14(10)19-2/h8-9,12-13,18H,4-7,17H2,1-3H3
InChIKeyNSOPGJKLJCKYQQ-UHFFFAOYSA-N
XLogP2.78
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxy-4-methylphenyl)heptane-3,4-diol
CID 83937570
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol
CID 83943367
4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
CID 83928392
4-amino-1-(2-chlorophenyl)heptan-3-ol
CID 83924269
1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine
CID 83943152
5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566
4-amino-1-(2-bromo-4,5-dimethylphenyl)heptan-3-ol
CID 83921957
4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
CID 83924985
4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol
CID 83940153
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol?
The IUPAC name of 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol (CID 83943375) is 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol.
What is the SMILES notation for 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol?
The canonical SMILES for 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol is CCCC(N)C(O)CCc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol?
The InChIKey is NSOPGJKLJCKYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-4-5-12(17)13(18)7-6-10-8-11(16)15(20-3)9-14(10)19-2/h8-9,12-13,18H,4-7,17H2,1-3H3.
What are the key properties of 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol?
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol has a molecular weight of 301.81 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol is sourced from PubChem (CID 83943375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).