N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine

C13H21ClN2O — CID 28792490

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C13H21ClN2O/c1-4-16(7-5-6-15)12-8-10(2)11(14)9-13(12)17-3/h8-9H,4-7,15H2,1-3H3
InChIKeyXAUDWJHVJQSPFR-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.83
Rot. Bonds6

About N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine

N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine (PubChem CID 28792490) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine
PubChem CID28792490
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C13H21ClN2O/c1-4-16(7-5-6-15)12-8-10(2)11(14)9-13(12)17-3/h8-9H,4-7,15H2,1-3H3
InChIKeyXAUDWJHVJQSPFR-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-N-ethyl-2-methoxy-5-methylanilino)propanoic acid
CID 82318783
N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772873
N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28792366
N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28772955
1-(5-chloro-2-methoxy-4-methylphenyl)butane-1,4-diamine
CID 116933715
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
CID 39396844
N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine
CID 62155475
3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
ethyl 4-(N-ethyl-4-formyl-2,5-dimethoxyanilino)butanoate
CID 59839437

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine (CID 28792490) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine is CCN(CCCN)c1cc(C)c(Cl)cc1OC.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is XAUDWJHVJQSPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-4-16(7-5-6-15)12-8-10(2)11(14)9-13(12)17-3/h8-9H,4-7,15H2,1-3H3.
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 28792490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).