N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine

C11H17ClN2O — CID 105486100

IUPACN'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine
SMILESCOC(CN)CN(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2O/c1-14(8-11(7-13)15-2)10-5-3-9(12)4-6-10/h3-6,11H,7-8,13H2,1-2H3
InChIKeyJLEMYWJCIJXWGJ-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.75
Rot. Bonds5

About N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine

N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine (PubChem CID 105486100) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine
PubChem CID105486100
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine
SMILESCOC(CN)CN(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2O/c1-14(8-11(7-13)15-2)10-5-3-9(12)4-6-10/h3-6,11H,7-8,13H2,1-2H3
InChIKeyJLEMYWJCIJXWGJ-UHFFFAOYSA-N
XLogP1.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,2-dimethoxyethyl)-N-methylaniline
CID 139970905
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 114145294
1-N,4-N-bis(2-methoxypropyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 70177218
4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120593768
3-amino-4-(4-chloro-N-methylanilino)butanoic acid
CID 115241545
N-(3-chloro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202409
4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol
CID 82214480
1-(4-chloro-N-methylanilino)-4-(methylamino)butan-2-ol
CID 112514513
N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine
CID 115202433
N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 115206325
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134535

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine (CID 105486100) is N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine is COC(CN)CN(C)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine?
The InChIKey is JLEMYWJCIJXWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14(8-11(7-13)15-2)10-5-3-9(12)4-6-10/h3-6,11H,7-8,13H2,1-2H3.
What are the key properties of N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine?
N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine has a molecular weight of 228.72 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 105486100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).