1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine

C16H28N2O — CID 115135884

IUPAC1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(CNCC(C)(C)N)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-11(2)14-8-13(9-18-10-16(4,5)17)12(3)7-15(14)19-6/h7-8,11,18H,9-10,17H2,1-6H3
InChIKeyXVLMDMIOUCCREF-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.95
Rot. Bonds6

About 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine

1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine (PubChem CID 115135884) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
PubChem CID115135884
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(CNCC(C)(C)N)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-11(2)14-8-13(9-18-10-16(4,5)17)12(3)7-15(14)19-6/h7-8,11,18H,9-10,17H2,1-6H3
InChIKeyXVLMDMIOUCCREF-UHFFFAOYSA-N
XLogP2.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122097
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 110781255
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711916
N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
CID 82552738
N-(cyanomethyl)-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 96665573
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine (CID 115135884) is 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine is COc1cc(C)c(CNCC(C)(C)N)cc1C(C)C.
What is the InChIKey of 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine?
The InChIKey is XVLMDMIOUCCREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)14-8-13(9-18-10-16(4,5)17)12(3)7-15(14)19-6/h7-8,11,18H,9-10,17H2,1-6H3.
What are the key properties of 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine?
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115135884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).