5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine

C15H25NO — CID 83942714

IUPAC5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
SMILESCCc1ccc(OC)c(CC(C)CC(C)N)c1
InChIInChI=1S/C15H25NO/c1-5-13-6-7-15(17-4)14(10-13)9-11(2)8-12(3)16/h6-7,10-12H,5,8-9,16H2,1-4H3
InChIKeyCWALBZBJCYCMMR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.17
Rot. Bonds6

About 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine

5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine (PubChem CID 83942714) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
PubChem CID83942714
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
SMILESCCc1ccc(OC)c(CC(C)CC(C)N)c1
InChIInChI=1S/C15H25NO/c1-5-13-6-7-15(17-4)14(10-13)9-11(2)8-12(3)16/h6-7,10-12H,5,8-9,16H2,1-4H3
InChIKeyCWALBZBJCYCMMR-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
2-[(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116931688
1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948870
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine
CID 83941578
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
CID 83942665
1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine
CID 112512787
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
1-(3-ethyl-4-methoxyphenyl)butane-1,3-diamine
CID 116933248

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine?
The IUPAC name of 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine (CID 83942714) is 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine is CCc1ccc(OC)c(CC(C)CC(C)N)c1.
What is the InChIKey of 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine?
The InChIKey is CWALBZBJCYCMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13-6-7-15(17-4)14(10-13)9-11(2)8-12(3)16/h6-7,10-12H,5,8-9,16H2,1-4H3.
What are the key properties of 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine?
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 83942714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).