N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine

C14H23ClN2O — CID 81067875

IUPACN-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCC(C)OCCN(C)CCNc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2O/c1-12(2)18-10-9-17(3)8-7-16-14-6-4-5-13(15)11-14/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyDDIANYHYLFRZEF-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.11
Rot. Bonds8

About N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine

N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine (PubChem CID 81067875) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
PubChem CID81067875
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCC(C)OCCN(C)CCNc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2O/c1-12(2)18-10-9-17(3)8-7-16-14-6-4-5-13(15)11-14/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyDDIANYHYLFRZEF-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-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067873
N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 55088823
N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62560444
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 62597642
N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494320
N-(3-chlorophenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62558742
N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997769
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine (CID 81067875) is N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine is CC(C)OCCN(C)CCNc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The InChIKey is DDIANYHYLFRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-12(2)18-10-9-17(3)8-7-16-14-6-4-5-13(15)11-14/h4-6,11-12,16H,7-10H2,1-3H3.
What are the key properties of N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
N-(3-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-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 81067875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).