1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine

C13H22N2O — CID 116949687

IUPAC1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
SMILESCNC(CC(C)CN)c1ccc(OC)cc1
InChIInChI=1S/C13H22N2O/c1-10(9-14)8-13(15-2)11-4-6-12(16-3)7-5-11/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeySSXGKBOVDXVOMM-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.94
Rot. Bonds6

About 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine

1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine (PubChem CID 116949687) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
PubChem CID116949687
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
SMILESCNC(CC(C)CN)c1ccc(OC)cc1
InChIInChI=1S/C13H22N2O/c1-10(9-14)8-13(15-2)11-4-6-12(16-3)7-5-11/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeySSXGKBOVDXVOMM-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949684
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64658169
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine
CID 105206009
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759604
3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 83177620
2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine
CID 82004349

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine (CID 116949687) is 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine is CNC(CC(C)CN)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine?
The InChIKey is SSXGKBOVDXVOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(9-14)8-13(15-2)11-4-6-12(16-3)7-5-11/h4-7,10,13,15H,8-9,14H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine?
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).