1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine

C16H28N2O2 — CID 81055276

IUPAC1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
SMILESCOc1ccc(C(N)C(C)N(C)CCOC(C)C)cc1
InChIInChI=1S/C16H28N2O2/c1-12(2)20-11-10-18(4)13(3)16(17)14-6-8-15(19-5)9-7-14/h6-9,12-13,16H,10-11,17H2,1-5H3
InChIKeyOQQJZRQCHFFKAT-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.44
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine

1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine (PubChem CID 81055276) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
PubChem CID81055276
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
SMILESCOc1ccc(C(N)C(C)N(C)CCOC(C)C)cc1
InChIInChI=1S/C16H28N2O2/c1-12(2)20-11-10-18(4)13(3)16(17)14-6-8-15(19-5)9-7-14/h6-9,12-13,16H,10-11,17H2,1-5H3
InChIKeyOQQJZRQCHFFKAT-UHFFFAOYSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 43184137
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184596
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine
CID 102992432
2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine
CID 43270350
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16782629
1-(4-methoxyphenyl)-3-propan-2-yloxypropan-1-ol
CID 115001584
1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81062270

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine (CID 81055276) is 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine is COc1ccc(C(N)C(C)N(C)CCOC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The InChIKey is OQQJZRQCHFFKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)20-11-10-18(4)13(3)16(17)14-6-8-15(19-5)9-7-14/h6-9,12-13,16H,10-11,17H2,1-5H3.
What are the key properties of 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine is sourced from PubChem (CID 81055276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).