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

C14H24N2O — CID 96674273

IUPACN'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(C)c(N(C)CCN)cc1C(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)12-9-13(16(4)7-6-15)11(3)8-14(12)17-5/h8-10H,6-7,15H2,1-5H3
InChIKeyVFZSKZNTPPXBAI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.52
Rot. Bonds5

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

N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 96674273) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
PubChem CID96674273
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(C)c(N(C)CCN)cc1C(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)12-9-13(16(4)7-6-15)11(3)8-14(12)17-5/h8-10H,6-7,15H2,1-5H3
InChIKeyVFZSKZNTPPXBAI-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.52
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'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
CID 96672674
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115258354
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N,N'-dimethylmethanediamine
CID 115226664
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131764
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
CID 115170722
N-(2-chloroethyl)-4,5-dimethoxy-N,2-dimethylaniline
CID 115214735
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
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 115166049
2-(4,5-dimethoxy-N,2-dimethylanilino)ethanethiol
CID 115223827

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine (CID 96674273) is N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine is COc1cc(C)c(N(C)CCN)cc1C(C)C.
What is the InChIKey of N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is VFZSKZNTPPXBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)12-9-13(16(4)7-6-15)11(3)8-14(12)17-5/h8-10H,6-7,15H2,1-5H3.
What are the key properties of N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine?
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 96674273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).