2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine

C15H24ClNO2 — CID 55055676

IUPAC2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1c(Cl)cc(CCN)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-5-11(2)10-19-15-13(16)8-12(6-7-17)9-14(15)18-3/h8-9,11H,4-7,10,17H2,1-3H3
InChIKeyAATYBLAGHRFQAR-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.66
Rot. Bonds8

About 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine

2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine (PubChem CID 55055676) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine
PubChem CID55055676
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1c(Cl)cc(CCN)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-5-11(2)10-19-15-13(16)8-12(6-7-17)9-14(15)18-3/h8-9,11H,4-7,10,17H2,1-3H3
InChIKeyAATYBLAGHRFQAR-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62266219
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
2-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethanamine
CID 20985649
1-[5-chloro-3-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 104667125
2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
CID 54930550

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine (CID 55055676) is 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine is CCCC(C)COc1c(Cl)cc(CCN)cc1OC.
What is the InChIKey of 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine?
The InChIKey is AATYBLAGHRFQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-5-11(2)10-19-15-13(16)8-12(6-7-17)9-14(15)18-3/h8-9,11H,4-7,10,17H2,1-3H3.
What are the key properties of 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine?
2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine has a molecular weight of 285.82 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine is sourced from PubChem (CID 55055676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).