N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine

C14H23ClN2O — CID 62553684

IUPACN-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCN(CCNc1ccc(Cl)cc1)C(C)COC
InChIInChI=1S/C14H23ClN2O/c1-4-17(12(2)11-18-3)10-9-16-14-7-5-13(15)6-8-14/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyYSKHGLMVTRIKAV-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.11
Rot. Bonds8

About N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine

N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine (PubChem CID 62553684) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
PubChem CID62553684
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCN(CCNc1ccc(Cl)cc1)C(C)COC
InChIInChI=1S/C14H23ClN2O/c1-4-17(12(2)11-18-3)10-9-16-14-7-5-13(15)6-8-14/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyYSKHGLMVTRIKAV-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-fluorophenyl)-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62558387
1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643465
1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
CID 62619707
N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067873
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 55088831
4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline
CID 103285783
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
4-chloro-N-(3-methylpentyl)aniline
CID 173121721
N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805618
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555499
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 104513659

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine (CID 62553684) is N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine is CCN(CCNc1ccc(Cl)cc1)C(C)COC.
What is the InChIKey of N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The InChIKey is YSKHGLMVTRIKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-17(12(2)11-18-3)10-9-16-14-7-5-13(15)6-8-14/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine?
N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)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'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62553684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).