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

C15H24ClNO3 — CID 83943371

IUPAC5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
SMILESCCC(N)C(O)CC(C)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H24ClNO3/c1-5-12(17)13(18)6-9(2)10-7-11(16)15(20-4)8-14(10)19-3/h7-9,12-13,18H,5-6,17H2,1-4H3
InChIKeyABWWUTRPNUUMEG-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.95
Rot. Bonds7

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

5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol (PubChem CID 83943371) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol.

Molecular Properties

Compound Name5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
PubChem CID83943371
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
SMILESCCC(N)C(O)CC(C)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H24ClNO3/c1-5-12(17)13(18)6-9(2)10-7-11(16)15(20-4)8-14(10)19-3/h7-9,12-13,18H,5-6,17H2,1-4H3
InChIKeyABWWUTRPNUUMEG-UHFFFAOYSA-N
XLogP2.95
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
CID 83943240
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
CID 83922311
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
CID 83939390
1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene
CID 83943357
5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
CID 83931688
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
2-amino-1-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diol
CID 83943166
5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
CID 83942505
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol?
The IUPAC name of 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol (CID 83943371) is 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol.
What is the SMILES notation for 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol?
The canonical SMILES for 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol is CCC(N)C(O)CC(C)c1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol?
The InChIKey is ABWWUTRPNUUMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-5-12(17)13(18)6-9(2)10-7-11(16)15(20-4)8-14(10)19-3/h7-9,12-13,18H,5-6,17H2,1-4H3.
What are the key properties of 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol?
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol has a molecular weight of 301.81 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol is sourced from PubChem (CID 83943371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).