2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine

C15H26N2O — CID 63070653

IUPAC2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine
SMILESCCOC(CN)CCN(C)c1ccc(CC)cc1
InChIInChI=1S/C15H26N2O/c1-4-13-6-8-14(9-7-13)17(3)11-10-15(12-16)18-5-2/h6-9,15H,4-5,10-12,16H2,1-3H3
InChIKeyHYFKMKCVFWQNIE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.44
Rot. Bonds8

About 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine

2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine (PubChem CID 63070653) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine
PubChem CID63070653
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine
SMILESCCOC(CN)CCN(C)c1ccc(CC)cc1
InChIInChI=1S/C15H26N2O/c1-4-13-6-8-14(9-7-13)17(3)11-10-15(12-16)18-5-2/h6-9,15H,4-5,10-12,16H2,1-3H3
InChIKeyHYFKMKCVFWQNIE-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 63071036
2-ethoxy-4-(4-ethylphenoxy)butan-1-amine
CID 63072009
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
4-amino-N-(4-ethylphenyl)-3-methoxy-N-methylbutanamide
CID 103155730
N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine
CID 62002474
3-N-(4-ethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119487
N'-cyclopropyl-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069693
2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 63071613
2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
CID 63070283
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
(4-ethyl-N-methylanilino)methanethiol
CID 115227706
N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
CID 62553647

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine (CID 63070653) is 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine is CCOC(CN)CCN(C)c1ccc(CC)cc1.
What is the InChIKey of 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine?
The InChIKey is HYFKMKCVFWQNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13-6-8-14(9-7-13)17(3)11-10-15(12-16)18-5-2/h6-9,15H,4-5,10-12,16H2,1-3H3.
What are the key properties of 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine?
2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 63070653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).