4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol

C15H24ClNO2 — CID 79360985

IUPAC4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCCNCc1cc(Cl)ccc1OCCC(C)(C)O
InChIInChI=1S/C15H24ClNO2/c1-4-8-17-11-12-10-13(16)5-6-14(12)19-9-7-15(2,3)18/h5-6,10,17-18H,4,7-9,11H2,1-3H3
InChIKeyRTGDLRKSYGDRGN-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.38
Rot. Bonds8

About 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol

4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol (PubChem CID 79360985) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
PubChem CID79360985
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCCNCc1cc(Cl)ccc1OCCC(C)(C)O
InChIInChI=1S/C15H24ClNO2/c1-4-8-17-11-12-10-13(16)5-6-14(12)19-9-7-15(2,3)18/h5-6,10,17-18H,4,7-9,11H2,1-3H3
InChIKeyRTGDLRKSYGDRGN-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
4-[4-fluoro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107695918
4-[2-chloro-4-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361187
N-[[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 43278002
4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol
CID 79360568
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491520
4-[2-methoxy-5-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361822
3-[(5-chloro-2-propoxyphenyl)methylamino]propanoic acid
CID 102536603
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
5-chloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79354849
5-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256565

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol (CID 79360985) is 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol is CCCNCc1cc(Cl)ccc1OCCC(C)(C)O.
What is the InChIKey of 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is RTGDLRKSYGDRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-8-17-11-12-10-13(16)5-6-14(12)19-9-7-15(2,3)18/h5-6,10,17-18H,4,7-9,11H2,1-3H3.
What are the key properties of 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol?
4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol has a molecular weight of 285.81 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79360985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).