2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine

C15H25ClN2O — CID 83940446

IUPAC2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine
SMILESCOc1c(C)cc(Cl)c(C)c1C(C)CC(CN)CN
InChIInChI=1S/C15H25ClN2O/c1-9(5-12(7-17)8-18)14-11(3)13(16)6-10(2)15(14)19-4/h6,9,12H,5,7-8,17-18H2,1-4H3
InChIKeyZVNLDLZILPDMPM-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.99
Rot. Bonds6

About 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine

2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine (PubChem CID 83940446) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine
PubChem CID83940446
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine
SMILESCOc1c(C)cc(Cl)c(C)c1C(C)CC(CN)CN
InChIInChI=1S/C15H25ClN2O/c1-9(5-12(7-17)8-18)14-11(3)13(16)6-10(2)15(14)19-4/h6,9,12H,5,7-8,17-18H2,1-4H3
InChIKeyZVNLDLZILPDMPM-UHFFFAOYSA-N
XLogP2.99
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxy-3,6-dimethylphenyl)pentanenitrile
CID 83940496
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine
CID 83940441
2-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783199
methyl 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83940553
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026
2-[3-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-yl]propane-1,3-diamine
CID 83940614
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)butyl]-3-ethyloxirane
CID 83940530

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine (CID 83940446) is 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine is COc1c(C)cc(Cl)c(C)c1C(C)CC(CN)CN.
What is the InChIKey of 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine?
The InChIKey is ZVNLDLZILPDMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-9(5-12(7-17)8-18)14-11(3)13(16)6-10(2)15(14)19-4/h6,9,12H,5,7-8,17-18H2,1-4H3.
What are the key properties of 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine?
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine has a molecular weight of 284.83 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 83940446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).