2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine

C16H28N2O — CID 115251783

IUPAC2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
SMILESCCC(CN)CNCC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-5-13(10-17)11-18-12-16(2,3)14-6-8-15(19-4)9-7-14/h6-9,13,18H,5,10-12,17H2,1-4H3
InChIKeyWUMFFMHFPPYDCK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.55
Rot. Bonds8

About 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine

2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine (PubChem CID 115251783) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
PubChem CID115251783
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
SMILESCCC(CN)CNCC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-5-13(10-17)11-18-12-16(2,3)14-6-8-15(19-4)9-7-14/h6-9,13,18H,5,10-12,17H2,1-4H3
InChIKeyWUMFFMHFPPYDCK-UHFFFAOYSA-N
XLogP2.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257119
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050
2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251147
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylpentanamide
CID 119758287
N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
CID 115226389
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207173
2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251143
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine (CID 115251783) is 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine is CCC(CN)CNCC(C)(C)c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine?
The InChIKey is WUMFFMHFPPYDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-13(10-17)11-18-12-16(2,3)14-6-8-15(19-4)9-7-14/h6-9,13,18H,5,10-12,17H2,1-4H3.
What are the key properties of 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine?
2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine is sourced from PubChem (CID 115251783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).