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

C17H25N — CID 61365937

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)C1CC2CCC1C2
InChIInChI=1S/C17H25N/c1-12-3-5-13(6-4-12)11-17(18-2)16-10-14-7-8-15(16)9-14/h3-6,14-18H,7-11H2,1-2H3
InChIKeyIDLOXEVOAPECAG-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.56
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 61365937) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID61365937
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)C1CC2CCC1C2
InChIInChI=1S/C17H25N/c1-12-3-5-13(6-4-12)11-17(18-2)16-10-14-7-8-15(16)9-14/h3-6,14-18H,7-11H2,1-2H3
InChIKeyIDLOXEVOAPECAG-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine
CID 61365938
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61365737
[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-2-(4-methoxyphenyl)ethanamine
CID 61364944
1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 64730116
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050823
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 114192236
N-[2-bicyclo[2.2.1]heptanyl(cyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 171485845
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol
CID 79550468
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 61365937) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is IDLOXEVOAPECAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-3-5-13(6-4-12)11-17(18-2)16-10-14-7-8-15(16)9-14/h3-6,14-18H,7-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 243.39 g/mol, XLogP of 3.56, 4 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-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 61365937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).