(1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine

C13H17N — CID 13405457

IUPAC(1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine
SMILESN[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccccc1
InChIInChI=1S/C13H17N/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-5,10-13H,6-8,14H2/t10-,11+,12+,13-/m1/s1
InChIKeyYESNBFAEPGJCQQ-MROQNXINSA-N
MW187.29 g/mol
LogP2.53
Rot. Bonds1

About (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine

(1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine (PubChem CID 13405457) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine
PubChem CID13405457
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine
SMILESN[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccccc1
InChIInChI=1S/C13H17N/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-5,10-13H,6-8,14H2/t10-,11+,12+,13-/m1/s1
InChIKeyYESNBFAEPGJCQQ-MROQNXINSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine (CID 13405457) is (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine is N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccccc1.
What is the InChIKey of (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is YESNBFAEPGJCQQ-MROQNXINSA-N. The full InChI is InChI=1S/C13H17N/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-5,10-13H,6-8,14H2/t10-,11+,12+,13-/m1/s1.
What are the key properties of (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine?
(1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 187.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 13405457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).