1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine

C14H22ClNO2 — CID 117432479

IUPAC1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(C(C)C)c(Cl)c1OC
InChIInChI=1S/C14H22ClNO2/c1-8(2)12-10(6-9(3)16)7-11(17-4)14(18-5)13(12)15/h7-9H,6,16H2,1-5H3
InChIKeyBKAIUKSJLMVDCZ-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.37
Rot. Bonds5

About 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine

1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine (PubChem CID 117432479) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
PubChem CID117432479
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(C(C)C)c(Cl)c1OC
InChIInChI=1S/C14H22ClNO2/c1-8(2)12-10(6-9(3)16)7-11(17-4)14(18-5)13(12)15/h7-9H,6,16H2,1-5H3
InChIKeyBKAIUKSJLMVDCZ-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117460468
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117324016
1-[3-chloro-2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine
CID 169028870
2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
1-(2,3,5-trimethoxy(613C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492453
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine (CID 117432479) is 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine is COc1cc(CC(C)N)c(C(C)C)c(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine?
The InChIKey is BKAIUKSJLMVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-8(2)12-10(6-9(3)16)7-11(17-4)14(18-5)13(12)15/h7-9H,6,16H2,1-5H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine?
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine has a molecular weight of 271.79 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 117432479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).