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

C15H25NO — CID 83941578

IUPAC5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine
SMILESCCc1cc(OC)ccc1CC(C)CC(C)N
InChIInChI=1S/C15H25NO/c1-5-13-10-15(17-4)7-6-14(13)9-11(2)8-12(3)16/h6-7,10-12H,5,8-9,16H2,1-4H3
InChIKeyHHNJNCZZWGSREK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.17
Rot. Bonds6

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

5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine (PubChem CID 83941578) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine
PubChem CID83941578
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine
SMILESCCc1cc(OC)ccc1CC(C)CC(C)N
InChIInChI=1S/C15H25NO/c1-5-13-10-15(17-4)7-6-14(13)9-11(2)8-12(3)16/h6-7,10-12H,5,8-9,16H2,1-4H3
InChIKeyHHNJNCZZWGSREK-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

2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
CID 83941599
2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene
CID 21039854
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene
CID 83941584
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951
1-(3-bromo-2-methylpropyl)-4-methoxy-2-methylbenzene
CID 65316290
1-bromo-2-(4-chloro-2-methylpentyl)-4-methoxybenzene
CID 65326063
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine?
The IUPAC name of 5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine (CID 83941578) is 5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine is CCc1cc(OC)ccc1CC(C)CC(C)N.
What is the InChIKey of 5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine?
The InChIKey is HHNJNCZZWGSREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13-10-15(17-4)7-6-14(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-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine?
5-(2-ethyl-4-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-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 83941578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).