(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine

C16H23N — CID 98111949

IUPAC(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
SMILESC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C16H23N/c1-12(9-13-5-3-2-4-6-13)17-16-11-14-7-8-15(16)10-14/h2-6,12,14-17H,7-11H2,1H3/t12-,14-,15-,16-/m1/s1
InChIKeyHKLJAIPTHOKCPY-DTZQCDIJSA-N
MW229.37 g/mol
LogP3.40
Rot. Bonds4

About (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine

(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 98111949) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
PubChem CID98111949
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
SMILESC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C16H23N/c1-12(9-13-5-3-2-4-6-13)17-16-11-14-7-8-15(16)10-14/h2-6,12,14-17H,7-11H2,1H3/t12-,14-,15-,16-/m1/s1
InChIKeyHKLJAIPTHOKCPY-DTZQCDIJSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
CID 64760321
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
(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
2-(2-bicyclo[2.2.1]heptanylamino)-2-phenylethanol
CID 63182183
[1-(2-bicyclo[2.2.1]heptanyl)-2-phenylethyl]hydrazine
CID 105266574
4-(1-phenylpropan-2-ylamino)oxolan-3-ol
CID 63011937
1-benzyl-3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylthiourea
CID 18557022
(2R,3S)-3-amino-1-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-4-phenylbutan-2-ol;dihydrochloride
CID 69359471
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510
N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine (CID 98111949) is (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine is C[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HKLJAIPTHOKCPY-DTZQCDIJSA-N. The full InChI is InChI=1S/C16H23N/c1-12(9-13-5-3-2-4-6-13)17-16-11-14-7-8-15(16)10-14/h2-6,12,14-17H,7-11H2,1H3/t12-,14-,15-,16-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine?
(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 98111949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).