4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine

C12H17Cl2NO2 — CID 83953316

IUPAC4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine
SMILESCOc1c(Cl)cc(CCC(C)N)c(OC)c1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-7(15)4-5-8-6-9(13)12(17-3)10(14)11(8)16-2/h6-7H,4-5,15H2,1-3H3
InChIKeyACLOZWCDOPVXMY-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.29
Rot. Bonds5

About 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine

4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine (PubChem CID 83953316) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine
PubChem CID83953316
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine
SMILESCOc1c(Cl)cc(CCC(C)N)c(OC)c1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-7(15)4-5-8-6-9(13)12(17-3)10(14)11(8)16-2/h6-7H,4-5,15H2,1-3H3
InChIKeyACLOZWCDOPVXMY-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812
4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924959
5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine
CID 116925047
1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
CID 170891521
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
CID 83941161
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
methyl 6-(3-aminobutyl)-2,3-dichlorobenzoate
CID 15731531
1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894010

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine?
The IUPAC name of 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine (CID 83953316) is 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine.
What is the SMILES notation for 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine?
The canonical SMILES for 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine is COc1c(Cl)cc(CCC(C)N)c(OC)c1Cl.
What is the InChIKey of 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine?
The InChIKey is ACLOZWCDOPVXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-7(15)4-5-8-6-9(13)12(17-3)10(14)11(8)16-2/h6-7H,4-5,15H2,1-3H3.
What are the key properties of 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine?
4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine has a molecular weight of 278.18 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine is sourced from PubChem (CID 83953316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).