N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine

C15H26N2O — CID 55170937

IUPACN'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCc1ccc(CN(CCCN)CCOC)cc1
InChIInChI=1S/C15H26N2O/c1-3-14-5-7-15(8-6-14)13-17(10-4-9-16)11-12-18-2/h5-8H,3-4,9-13,16H2,1-2H3
InChIKeyGFVTYGFJWJPJGC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.05
Rot. Bonds9

About N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine

N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 55170937) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID55170937
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCc1ccc(CN(CCCN)CCOC)cc1
InChIInChI=1S/C15H26N2O/c1-3-14-5-7-15(8-6-14)13-17(10-4-9-16)11-12-18-2/h5-8H,3-4,9-13,16H2,1-2H3
InChIKeyGFVTYGFJWJPJGC-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63287766
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate
CID 61035373
N'-(2-ethoxyethyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55220253
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
methyl 4-[[bis(6-aminohexyl)amino]methyl]benzoate
CID 152933256
1-(4-ethylphenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427466

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine (CID 55170937) is N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine is CCc1ccc(CN(CCCN)CCOC)cc1.
What is the InChIKey of N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is GFVTYGFJWJPJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-14-5-7-15(8-6-14)13-17(10-4-9-16)11-12-18-2/h5-8H,3-4,9-13,16H2,1-2H3.
What are the key properties of N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 55170937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).