N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

C15H25ClN2O — CID 62984575

IUPACN'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)NCCN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2O/c1-12(11-19-4)17-9-10-18(3)13(2)14-5-7-15(16)8-6-14/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyORBJXHOWIWUTQX-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.96
Rot. Bonds8

About N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 62984575) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID62984575
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)NCCN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2O/c1-12(11-19-4)17-9-10-18(3)13(2)14-5-7-15(16)8-6-14/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyORBJXHOWIWUTQX-UHFFFAOYSA-N
XLogP2.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62574091
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62983688
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62983848
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62984219
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607
N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555816
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 55089398
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 46575229

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (CID 62984575) is N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is COCC(C)NCCN(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is ORBJXHOWIWUTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-12(11-19-4)17-9-10-18(3)13(2)14-5-7-15(16)8-6-14/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 284.83 g/mol, XLogP of 2.96, 8 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]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62984575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).