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

C16H28N2O — CID 55011210

IUPACN-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC)C(C)COC)cc1
InChIInChI=1S/C16H28N2O/c1-5-14-7-9-15(10-8-14)16(11-17)18(6-2)13(3)12-19-4/h7-10,13,16H,5-6,11-12,17H2,1-4H3
InChIKeyXGJQWLUPIZTRON-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.61
Rot. Bonds8

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

N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (PubChem CID 55011210) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
PubChem CID55011210
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC)C(C)COC)cc1
InChIInChI=1S/C16H28N2O/c1-5-14-7-9-15(10-8-14)16(11-17)18(6-2)13(3)12-19-4/h7-10,13,16H,5-6,11-12,17H2,1-4H3
InChIKeyXGJQWLUPIZTRON-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 79984792
1-(4-ethylphenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427466
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095500
N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62496776
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 54946554
1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
1-(2-bromo-5-chlorophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 66158415
1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011258
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 66133479
2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate
CID 147822806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (CID 55011210) is N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is CCc1ccc(C(CN)N(CC)C(C)COC)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The InChIKey is XGJQWLUPIZTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-14-7-9-15(10-8-14)16(11-17)18(6-2)13(3)12-19-4/h7-10,13,16H,5-6,11-12,17H2,1-4H3.
What are the key properties of N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55011210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).