1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride

C15H25Cl2NO2 — CID 170890050

IUPAC1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
SMILESCCOCc1cc(Cl)c(OCC)c(CC(N)CC)c1.Cl
InChIInChI=1S/C15H24ClNO2.ClH/c1-4-13(17)9-12-7-11(10-18-5-2)8-14(16)15(12)19-6-3;/h7-8,13H,4-6,9-10,17H2,1-3H3;1H
InChIKeyCGMASCCYWURINB-UHFFFAOYSA-N
MW322.28 g/mol
LogP3.98
Rot. Bonds8

About 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride

1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride (PubChem CID 170890050) has the molecular formula C15H25Cl2NO2 and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
PubChem CID170890050
Molecular FormulaC15H25Cl2NO2
Molecular Weight322.28 g/mol
Exact Mass321.13
IUPAC Name1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
SMILESCCOCc1cc(Cl)c(OCC)c(CC(N)CC)c1.Cl
InChIInChI=1S/C15H24ClNO2.ClH/c1-4-13(17)9-12-7-11(10-18-5-2)8-14(16)15(12)19-6-3;/h7-8,13H,4-6,9-10,17H2,1-3H3;1H
InChIKeyCGMASCCYWURINB-UHFFFAOYSA-N
XLogP3.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890086
1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine
CID 170890049
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 170893991
1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride
CID 170893967
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
CID 170890476
1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
CID 170891411
2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
CID 170888160
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 60907800
1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine
CID 170890449

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride (CID 170890050) is 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride is CCOCc1cc(Cl)c(OCC)c(CC(N)CC)c1.Cl.
What is the InChIKey of 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride?
The InChIKey is CGMASCCYWURINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2.ClH/c1-4-13(17)9-12-7-11(10-18-5-2)8-14(16)15(12)19-6-3;/h7-8,13H,4-6,9-10,17H2,1-3H3;1H.
What are the key properties of 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride?
1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride has a molecular weight of 322.28 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).