2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine

C16H28N2O — CID 115138007

IUPAC2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCOc1ccc(N(C)C(CN)C(C)C)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-11(2)14-9-13(7-8-16(14)19-6)18(5)15(10-17)12(3)4/h7-9,11-12,15H,10,17H2,1-6H3
InChIKeyGWMATZICZMFVQW-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.24
Rot. Bonds6

About 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine

2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 115138007) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
PubChem CID115138007
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCOc1ccc(N(C)C(CN)C(C)C)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-11(2)14-9-13(7-8-16(14)19-6)18(5)15(10-17)12(3)4/h7-9,11-12,15H,10,17H2,1-6H3
InChIKeyGWMATZICZMFVQW-UHFFFAOYSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
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-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202419
4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline
CID 115258339
2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine
CID 115137983
2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 82021046
2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide
CID 115259761
2-amino-1-[5-(dimethylamino)-2-methoxyphenyl]ethanol
CID 117300657
2-hydroxy-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115139677
2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115161877
2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138015
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138004
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077
(E)-4-(4-methoxy-N-methyl-3-propan-2-ylanilino)but-2-enoic acid
CID 115236974

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine (CID 115138007) is 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine is COc1ccc(N(C)C(CN)C(C)C)cc1C(C)C.
What is the InChIKey of 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is GWMATZICZMFVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)14-9-13(7-8-16(14)19-6)18(5)15(10-17)12(3)4/h7-9,11-12,15H,10,17H2,1-6H3.
What are the key properties of 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115138007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).