1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine

C13H22N2O — CID 116933717

IUPAC1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
SMILESCCOc1ccc(C(N)CCCN)cc1C
InChIInChI=1S/C13H22N2O/c1-3-16-13-7-6-11(9-10(13)2)12(15)5-4-8-14/h6-7,9,12H,3-5,8,14-15H2,1-2H3
InChIKeyJBADEOLUWXIYOM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.13
Rot. Bonds6

About 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine

1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine (PubChem CID 116933717) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
PubChem CID116933717
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
SMILESCCOc1ccc(C(N)CCCN)cc1C
InChIInChI=1S/C13H22N2O/c1-3-16-13-7-6-11(9-10(13)2)12(15)5-4-8-14/h6-7,9,12H,3-5,8,14-15H2,1-2H3
InChIKeyJBADEOLUWXIYOM-UHFFFAOYSA-N
XLogP2.13
TPSA61.27 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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(1S)-1-(4-ethoxy-3-methoxyphenyl)pentane-1,5-diamine
CID 171231818
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1,3-diamino-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116942528

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine (CID 116933717) is 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine is CCOc1ccc(C(N)CCCN)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine?
The InChIKey is JBADEOLUWXIYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-16-13-7-6-11(9-10(13)2)12(15)5-4-8-14/h6-7,9,12H,3-5,8,14-15H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine?
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116933717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).