2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine

C16H28N2O — CID 115251203

IUPAC2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
SMILESCCC(CN)CNc1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C16H28N2O/c1-6-13(9-17)10-18-15-8-14(11(2)3)16(19-5)7-12(15)4/h7-8,11,13,18H,6,9-10,17H2,1-5H3
InChIKeyDQUPASYXKBKFMZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.52
Rot. Bonds7

About 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine

2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine (PubChem CID 115251203) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
PubChem CID115251203
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
SMILESCCC(CN)CNc1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C16H28N2O/c1-6-13(9-17)10-18-15-8-14(11(2)3)16(19-5)7-12(15)4/h7-8,11,13,18H,6,9-10,17H2,1-5H3
InChIKeyDQUPASYXKBKFMZ-UHFFFAOYSA-N
XLogP3.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
CID 43716743
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 115131625
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 98784035
2-ethyl-N'-(2-methoxy-3,5-dimethylphenyl)propane-1,3-diamine
CID 115251223
3-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2,3-triamine
CID 115119373
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236206
4-(4-methoxy-2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115218428
2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol
CID 115250495
N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252336
4-butoxy-N-ethyl-2-methyl-5-propan-2-ylaniline
CID 82552696
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine (CID 115251203) is 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine is CCC(CN)CNc1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The InChIKey is DQUPASYXKBKFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-13(9-17)10-18-15-8-14(11(2)3)16(19-5)7-12(15)4/h7-8,11,13,18H,6,9-10,17H2,1-5H3.
What are the key properties of 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 115251203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).