1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine

C12H20N2O — CID 116949257

IUPAC1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
SMILESCNC(CCCN)c1ccc(OC)cc1
InChIInChI=1S/C12H20N2O/c1-14-12(4-3-9-13)10-5-7-11(15-2)8-6-10/h5-8,12,14H,3-4,9,13H2,1-2H3
InChIKeyDJQXDQQIGTTYJK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.69
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine

1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine (PubChem CID 116949257) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
PubChem CID116949257
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
SMILESCNC(CCCN)c1ccc(OC)cc1
InChIInChI=1S/C12H20N2O/c1-14-12(4-3-9-13)10-5-7-11(15-2)8-6-10/h5-8,12,14H,3-4,9,13H2,1-2H3
InChIKeyDJQXDQQIGTTYJK-UHFFFAOYSA-N
XLogP1.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
N-methyl-1-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 116949337
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
(2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide
CID 141009341
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate
CID 144618323
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine (CID 116949257) is 1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine is CNC(CCCN)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine?
The InChIKey is DJQXDQQIGTTYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14-12(4-3-9-13)10-5-7-11(15-2)8-6-10/h5-8,12,14H,3-4,9,13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine?
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.69, 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-methylbutane-1,4-diamine is sourced from PubChem (CID 116949257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).