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

C13H21ClN2O — CID 114145294

IUPACN'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
SMILESCOC(CN)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-10(11-4-6-12(14)7-5-11)16(2)9-13(8-15)17-3/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyOAGKRJJOAPZZRB-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.31
Rot. Bonds6

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

N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine (PubChem CID 114145294) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
PubChem CID114145294
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
SMILESCOC(CN)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-10(11-4-6-12(14)7-5-11)16(2)9-13(8-15)17-3/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyOAGKRJJOAPZZRB-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-chlorophenyl)-2-methoxy-N'-methylpropane-1,3-diamine
CID 105486100
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313080
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62978006
3-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 55149256
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120593768
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine (CID 114145294) is N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine is COC(CN)CN(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine?
The InChIKey is OAGKRJJOAPZZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-10(11-4-6-12(14)7-5-11)16(2)9-13(8-15)17-3/h4-7,10,13H,8-9,15H2,1-3H3.
What are the key properties of N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine?
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 114145294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).