1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine

C17H25N — CID 43178312

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
SMILESCC(NCCc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C17H25N/c1-13(17-12-15-7-8-16(17)11-15)18-10-9-14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3
InChIKeySZPDHUKCZAGWCY-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.64
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine (PubChem CID 43178312) 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-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
PubChem CID43178312
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
SMILESCC(NCCc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C17H25N/c1-13(17-12-15-7-8-16(17)11-15)18-10-9-14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3
InChIKeySZPDHUKCZAGWCY-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine with MolForge

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Related Compounds

(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129428816
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 4851511
(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 98074301
(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-bromophenyl)methyl]ethanamine
CID 129428903
1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 43081550
N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
CID 108508984
(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 102451232
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine
CID 61365938
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
CID 60668799

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine (CID 43178312) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine is CC(NCCc1ccccc1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine?
The InChIKey is SZPDHUKCZAGWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13(17-12-15-7-8-16(17)11-15)18-10-9-14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine has a molecular weight of 243.39 g/mol, XLogP of 3.64, 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-(2-phenylethyl)ethanamine is sourced from PubChem (CID 43178312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).