N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine

C14H23ClN2O — CID 81067873

IUPACN-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCC(C)OCCN(C)CCNc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O/c1-12(2)18-11-10-17(3)9-8-16-14-6-4-13(15)5-7-14/h4-7,12,16H,8-11H2,1-3H3
InChIKeyJGHBZAXJIQPXBQ-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.11
Rot. Bonds8

About N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine

N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine (PubChem CID 81067873) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
PubChem CID81067873
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCC(C)OCCN(C)CCNc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O/c1-12(2)18-11-10-17(3)9-8-16-14-6-4-13(15)5-7-14/h4-7,12,16H,8-11H2,1-3H3
InChIKeyJGHBZAXJIQPXBQ-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067875
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 55088831
N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62553684
N-(4-chlorophenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55163626
2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39385075
4-iodo-N-(2-propan-2-yloxyethyl)aniline
CID 60679190
N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63503741
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607
5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 60680287
N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The IUPAC name of N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine (CID 81067873) is N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine is CC(C)OCCN(C)CCNc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The InChIKey is JGHBZAXJIQPXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-12(2)18-11-10-17(3)9-8-16-14-6-4-13(15)5-7-14/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine has a molecular weight of 270.80 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 81067873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).