1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine

C11H18N2O — CID 116909199

IUPAC1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
SMILESCNC(c1ccc(OC)cc1)N(C)C
InChIInChI=1S/C11H18N2O/c1-12-11(13(2)3)9-5-7-10(14-4)8-6-9/h5-8,11-12H,1-4H3
InChIKeyHLWKKSTXACKOOQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.47
Rot. Bonds4

About 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine

1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine (PubChem CID 116909199) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
PubChem CID116909199
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
SMILESCNC(c1ccc(OC)cc1)N(C)C
InChIInChI=1S/C11H18N2O/c1-12-11(13(2)3)9-5-7-10(14-4)8-6-9/h5-8,11-12H,1-4H3
InChIKeyHLWKKSTXACKOOQ-UHFFFAOYSA-N
XLogP1.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116909235
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
[4-[dimethylamino(methylamino)methyl]phenyl] cyclohexanecarboxylate
CID 143762722
2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 101034522
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759
1-methoxy-1-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 91693922
(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde
CID 135349106
(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 163535290
(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
CID 172635703

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine (CID 116909199) is 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine is CNC(c1ccc(OC)cc1)N(C)C.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine?
The InChIKey is HLWKKSTXACKOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-11(13(2)3)9-5-7-10(14-4)8-6-9/h5-8,11-12H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine?
1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine has a molecular weight of 194.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine is sourced from PubChem (CID 116909199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).