1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine

C14H23ClN2O2 — CID 104816327

IUPAC1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
SMILESCOCCCN(C)C(CN)c1c(Cl)cccc1OC
InChIInChI=1S/C14H23ClN2O2/c1-17(8-5-9-18-2)12(10-16)14-11(15)6-4-7-13(14)19-3/h4,6-7,12H,5,8-10,16H2,1-3H3
InChIKeyVYHPOMNOVWVCHL-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.32
Rot. Bonds8

About 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine

1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine (PubChem CID 104816327) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
PubChem CID104816327
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
SMILESCOCCCN(C)C(CN)c1c(Cl)cccc1OC
InChIInChI=1S/C14H23ClN2O2/c1-17(8-5-9-18-2)12(10-16)14-11(15)6-4-7-13(14)19-3/h4,6-7,12H,5,8-10,16H2,1-3H3
InChIKeyVYHPOMNOVWVCHL-UHFFFAOYSA-N
XLogP2.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 104816241
1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 104816340
1-(2-chloro-6-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 104816278
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 55141844
1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
CID 104816310
N-[(5-bromothiophen-3-yl)methyl]-1-(2-chloro-6-methoxyphenyl)-N-methylethane-1,2-diamine
CID 104816285
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 104816344
1-(4-chloro-2-fluorophenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 114843150
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 66158220
3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 51081765
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine (CID 104816327) is 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine is COCCCN(C)C(CN)c1c(Cl)cccc1OC.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine?
The InChIKey is VYHPOMNOVWVCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-17(8-5-9-18-2)12(10-16)14-11(15)6-4-7-13(14)19-3/h4,6-7,12H,5,8-10,16H2,1-3H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine?
1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine has a molecular weight of 286.80 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 104816327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).