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

C14H24N2O — CID 116948411

IUPAC1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H24N2O/c1-10(2)11-5-6-12(14(9-11)17-4)13(16-3)7-8-15/h5-6,9-10,13,16H,7-8,15H2,1-4H3
InChIKeyMECFDNPCPWWNST-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds6

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

1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine (PubChem CID 116948411) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine
PubChem CID116948411
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H24N2O/c1-10(2)11-5-6-12(14(9-11)17-4)13(16-3)7-8-15/h5-6,9-10,13,16H,7-8,15H2,1-4H3
InChIKeyMECFDNPCPWWNST-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950339
(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
CID 116948362
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 112518271
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
CID 116934906

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine (CID 116948411) is 1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine is CNC(CCN)c1ccc(C(C)C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine?
The InChIKey is MECFDNPCPWWNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)11-5-6-12(14(9-11)17-4)13(16-3)7-8-15/h5-6,9-10,13,16H,7-8,15H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine?
1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 116948411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).