1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine

C18H25NO — CID 101011841

IUPAC1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCOc1ccc(C(N)CC2C(C)=C(C)C(C)=C2C)cc1
InChIInChI=1S/C18H25NO/c1-11-12(2)14(4)17(13(11)3)10-18(19)15-6-8-16(20-5)9-7-15/h6-9,17-18H,10,19H2,1-5H3
InChIKeyAUFJSVVUWHQZFD-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine

1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine (PubChem CID 101011841) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
PubChem CID101011841
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCOc1ccc(C(N)CC2C(C)=C(C)C(C)=C2C)cc1
InChIInChI=1S/C18H25NO/c1-11-12(2)14(4)17(13(11)3)10-18(19)15-6-8-16(20-5)9-7-15/h6-9,17-18H,10,19H2,1-5H3
InChIKeyAUFJSVVUWHQZFD-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1-(4-methoxyphenyl)-2-(thian-4-yl)ethanamine
CID 105095213
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine
CID 15908769
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910
2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16793482
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
CID 64612734

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine (CID 101011841) is 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine is COc1ccc(C(N)CC2C(C)=C(C)C(C)=C2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine?
The InChIKey is AUFJSVVUWHQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11-12(2)14(4)17(13(11)3)10-18(19)15-6-8-16(20-5)9-7-15/h6-9,17-18H,10,19H2,1-5H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine?
1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 101011841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).