1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine

C13H21NO — CID 116914618

IUPAC1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
SMILESCCc1ccc(OC)c(C(C)N(C)C)c1
InChIInChI=1S/C13H21NO/c1-6-11-7-8-13(15-5)12(9-11)10(2)14(3)4/h7-10H,6H2,1-5H3
InChIKeyRKVDDSCGQJWYAB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.88
Rot. Bonds4

About 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine

1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine (PubChem CID 116914618) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
PubChem CID116914618
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
SMILESCCc1ccc(OC)c(C(C)N(C)C)c1
InChIInChI=1S/C13H21NO/c1-6-11-7-8-13(15-5)12(9-11)10(2)14(3)4/h7-10H,6H2,1-5H3
InChIKeyRKVDDSCGQJWYAB-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905892
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine (CID 116914618) is 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine is CCc1ccc(OC)c(C(C)N(C)C)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine?
The InChIKey is RKVDDSCGQJWYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-11-7-8-13(15-5)12(9-11)10(2)14(3)4/h7-10H,6H2,1-5H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine?
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116914618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).