2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine

C16H28N2O — CID 115131764

IUPAC2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1cc(C)c(N(C)C(C)(C)CN)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-11(2)13-9-14(12(3)8-15(13)19-7)18(6)16(4,5)10-17/h8-9,11H,10,17H2,1-7H3
InChIKeyFIRCEANINIEEMU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.30
Rot. Bonds5

About 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115131764) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115131764
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1cc(C)c(N(C)C(C)(C)CN)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-11(2)13-9-14(12(3)8-15(13)19-7)18(6)16(4,5)10-17/h8-9,11H,10,17H2,1-7H3
InChIKeyFIRCEANINIEEMU-UHFFFAOYSA-N
XLogP3.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.30
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

1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
CID 96674273
4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115258354
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N,N'-dimethylmethanediamine
CID 115226664
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 115131625
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
CID 115170722
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872
methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate
CID 115190466
2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131786
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 115166049
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 115131764) is 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine is COc1cc(C)c(N(C)C(C)(C)CN)cc1C(C)C.
What is the InChIKey of 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is FIRCEANINIEEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)13-9-14(12(3)8-15(13)19-7)18(6)16(4,5)10-17/h8-9,11H,10,17H2,1-7H3.
What are the key properties of 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115131764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).