1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride

C15H25Cl2NO — CID 170894041

IUPAC1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
SMILESCCC(C)(C)c1cc(Cl)c(OC)c(CC(C)N)c1.Cl
InChIInChI=1S/C15H24ClNO.ClH/c1-6-15(3,4)12-8-11(7-10(2)17)14(18-5)13(16)9-12;/h8-10H,6-7,17H2,1-5H3;1H
InChIKeyACMNNIWZYBCUOA-UHFFFAOYSA-N
MW306.28 g/mol
LogP4.35
Rot. Bonds5

About 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride

1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride (PubChem CID 170894041) has the molecular formula C15H25Cl2NO and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
PubChem CID170894041
Molecular FormulaC15H25Cl2NO
Molecular Weight306.28 g/mol
Exact Mass305.13
IUPAC Name1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
SMILESCCC(C)(C)c1cc(Cl)c(OC)c(CC(C)N)c1.Cl
InChIInChI=1S/C15H24ClNO.ClH/c1-6-15(3,4)12-8-11(7-10(2)17)14(18-5)13(16)9-12;/h8-10H,6-7,17H2,1-5H3;1H
InChIKeyACMNNIWZYBCUOA-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine
CID 170888180
1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
CID 170891411
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894010
1-[3-chloro-2-(cyclopropylmethoxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170893973
1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
CID 170891521
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
2-[3-chloro-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethanamine
CID 170888183
2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
CID 83899229
1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 170893991
1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890086
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride (CID 170894041) is 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride is CCC(C)(C)c1cc(Cl)c(OC)c(CC(C)N)c1.Cl.
What is the InChIKey of 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride?
The InChIKey is ACMNNIWZYBCUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO.ClH/c1-6-15(3,4)12-8-11(7-10(2)17)14(18-5)13(16)9-12;/h8-10H,6-7,17H2,1-5H3;1H.
What are the key properties of 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride?
1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride has a molecular weight of 306.28 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 170894041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).