1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine

C18H27N — CID 63527764

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)C1CC2CCC1C2
InChIInChI=1S/C18H27N/c1-3-19-18(12-14-6-4-13(2)5-7-14)17-11-15-8-9-16(17)10-15/h4-7,15-19H,3,8-12H2,1-2H3
InChIKeyRVDSMPGUMPTNCN-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.95
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine (PubChem CID 63527764) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
PubChem CID63527764
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)C1CC2CCC1C2
InChIInChI=1S/C18H27N/c1-3-19-18(12-14-6-4-13(2)5-7-14)17-11-15-8-9-16(17)10-15/h4-7,15-19H,3,8-12H2,1-2H3
InChIKeyRVDSMPGUMPTNCN-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61365937
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103040435
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
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-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
[1-(2-bicyclo[2.2.1]heptanyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105266614
[1-(2-bicyclo[2.2.1]heptanyl)-2-phenylethyl]hydrazine
CID 105266574
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012109
N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406929

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine (CID 63527764) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(C)cc1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The InChIKey is RVDSMPGUMPTNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-19-18(12-14-6-4-13(2)5-7-14)17-11-15-8-9-16(17)10-15/h4-7,15-19H,3,8-12H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 63527764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).