1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine

C14H24N2O — CID 116948870

IUPAC1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
SMILESCCc1ccc(OC)c(C(CC(C)N)NC)c1
InChIInChI=1S/C14H24N2O/c1-5-11-6-7-14(17-4)12(9-11)13(16-3)8-10(2)15/h6-7,9-10,13,16H,5,8,15H2,1-4H3
InChIKeyXKGJWONLUQAMMG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.26
Rot. Bonds6

About 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine

1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine (PubChem CID 116948870) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
PubChem CID116948870
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
SMILESCCc1ccc(OC)c(C(CC(C)N)NC)c1
InChIInChI=1S/C14H24N2O/c1-5-11-6-7-14(17-4)12(9-11)13(16-3)8-10(2)15/h6-7,9-10,13,16H,5,8,15H2,1-4H3
InChIKeyXKGJWONLUQAMMG-UHFFFAOYSA-N
XLogP2.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol
CID 83942562
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine (CID 116948870) is 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine is CCc1ccc(OC)c(C(CC(C)N)NC)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine?
The InChIKey is XKGJWONLUQAMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-11-6-7-14(17-4)12(9-11)13(16-3)8-10(2)15/h6-7,9-10,13,16H,5,8,15H2,1-4H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine?
1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 116948870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).