1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine

C13H22N2O — CID 115196458

IUPAC1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1c(C)cc(N(C)CC(C)N)cc1C
InChIInChI=1S/C13H22N2O/c1-9-6-12(15(4)8-11(3)14)7-10(2)13(9)16-5/h6-7,11H,8,14H2,1-5H3
InChIKeyZYSDFEMWVNUUTG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.10
Rot. Bonds4

About 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine

1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 115196458) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID115196458
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1c(C)cc(N(C)CC(C)N)cc1C
InChIInChI=1S/C13H22N2O/c1-9-6-12(15(4)8-11(3)14)7-10(2)13(9)16-5/h6-7,11H,8,14H2,1-5H3
InChIKeyZYSDFEMWVNUUTG-UHFFFAOYSA-N
XLogP2.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.10
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-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203766
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
(2S)-1-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
CID 28772456
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
1-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 115196670
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196394

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine (CID 115196458) is 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine is COc1c(C)cc(N(C)CC(C)N)cc1C.
What is the InChIKey of 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is ZYSDFEMWVNUUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-6-12(15(4)8-11(3)14)7-10(2)13(9)16-5/h6-7,11H,8,14H2,1-5H3.
What are the key properties of 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 115196458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).