N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine

C15H26N2O — CID 55138914

IUPACN'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
SMILESCOCCN(CC(C)C)CC(N)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(2)11-17(9-10-18-3)12-15(16)14-7-5-4-6-8-14/h4-8,13,15H,9-12,16H2,1-3H3
InChIKeyHQSOMOFXVMECCU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.29
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine

N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine (PubChem CID 55138914) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
PubChem CID55138914
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
SMILESCOCCN(CC(C)C)CC(N)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(2)11-17(9-10-18-3)12-15(16)14-7-5-4-6-8-14/h4-8,13,15H,9-12,16H2,1-3H3
InChIKeyHQSOMOFXVMECCU-UHFFFAOYSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 54986790
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844
N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089880
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
N'-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 61448002
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
1-(2-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265978
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 95285904
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
CID 54985939
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine (CID 55138914) is N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine is COCCN(CC(C)C)CC(N)c1ccccc1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The InChIKey is HQSOMOFXVMECCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)11-17(9-10-18-3)12-15(16)14-7-5-4-6-8-14/h4-8,13,15H,9-12,16H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 55138914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).