N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine

C16H28N2O2 — CID 81055375

IUPACN'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(N)CN(C)CCOCC)cc1
InChIInChI=1S/C16H28N2O2/c1-4-11-20-15-8-6-14(7-9-15)16(17)13-18(3)10-12-19-5-2/h6-9,16H,4-5,10-13,17H2,1-3H3
InChIKeyWCLLUYGHJKSEIZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.44
Rot. Bonds10

About N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine

N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 81055375) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID81055375
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(N)CN(C)CCOCC)cc1
InChIInChI=1S/C16H28N2O2/c1-4-11-20-15-8-6-14(7-9-15)16(17)13-18(3)10-12-19-5-2/h6-9,16H,4-5,10-13,17H2,1-3H3
InChIKeyWCLLUYGHJKSEIZ-UHFFFAOYSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 61429545
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine
CID 81055908
1-(3,4-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521822
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 81055375) is N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(N)CN(C)CCOCC)cc1.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is WCLLUYGHJKSEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-11-20-15-8-6-14(7-9-15)16(17)13-18(3)10-12-19-5-2/h6-9,16H,4-5,10-13,17H2,1-3H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 81055375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).