1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

C18H27NO — CID 61365344

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)C1CC2CCC1C2
InChIInChI=1S/C18H27NO/c1-3-19-18(17-11-14-7-8-15(17)9-14)12-13-5-4-6-16(10-13)20-2/h4-6,10,14-15,17-19H,3,7-9,11-12H2,1-2H3
InChIKeyKYQDWZUFGPKTEF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.65
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 61365344) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
PubChem CID61365344
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)C1CC2CCC1C2
InChIInChI=1S/C18H27NO/c1-3-19-18(17-11-14-7-8-15(17)9-14)12-13-5-4-6-16(10-13)20-2/h4-6,10,14-15,17-19H,3,7-9,11-12H2,1-2H3
InChIKeyKYQDWZUFGPKTEF-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
2-[1-chloro-3-(3-methoxyphenyl)propan-2-yl]bicyclo[2.2.1]heptane
CID 114246950
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764
N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
CID 70565355
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103040435
1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309017
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine
CID 61365938
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 114246866

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (CID 61365344) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is CCNC(Cc1cccc(OC)c1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is KYQDWZUFGPKTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-19-18(17-11-14-7-8-15(17)9-14)12-13-5-4-6-16(10-13)20-2/h4-6,10,14-15,17-19H,3,7-9,11-12H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 61365344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).