N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine

C14H24N2O — CID 98784035

IUPACN'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
SMILESCOc1cc(C)c(NCCCN)cc1C(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)12-9-13(16-7-5-6-15)11(3)8-14(12)17-4/h8-10,16H,5-7,15H2,1-4H3
InChIKeyRTKYSYNHPRAFOK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.89
Rot. Bonds6

About N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine

N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine (PubChem CID 98784035) 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)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
PubChem CID98784035
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
SMILESCOc1cc(C)c(NCCCN)cc1C(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)12-9-13(16-7-5-6-15)11(3)8-14(12)17-4/h8-10,16H,5-7,15H2,1-4H3
InChIKeyRTKYSYNHPRAFOK-UHFFFAOYSA-N
XLogP2.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236206
4-(4-methoxy-2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115218428
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 115131625
2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 115251203
N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
CID 103411364
1-N-(5-chloro-4-methoxy-2-methylphenyl)butane-1,3-diamine
CID 115199013
N-hexyl-4,5-dimethoxy-2-methylaniline
CID 43228540
N'-(5-chloro-4-methoxy-2-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197672
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)butane-1,4-diamine
CID 115201004
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872
3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 95452248

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine (CID 98784035) is N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine is COc1cc(C)c(NCCCN)cc1C(C)C.
What is the InChIKey of N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The InChIKey is RTKYSYNHPRAFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)12-9-13(16-7-5-6-15)11(3)8-14(12)17-4/h8-10,16H,5-7,15H2,1-4H3.
What are the key properties of N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 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)propane-1,3-diamine is sourced from PubChem (CID 98784035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).