(1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine

C13H16BrN — CID 102478599

IUPAC(1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESBrc1ccc(N[C@H]2C[C@@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C13H16BrN/c14-11-3-5-12(6-4-11)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2/t9-,10+,13+/m1/s1
InChIKeyCYLAWOMCTZVWDY-NRUUGDAUSA-N
MW266.18 g/mol
LogP4.05
Rot. Bonds2

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

(1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 102478599) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is (1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID102478599
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name(1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESBrc1ccc(N[C@H]2C[C@@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C13H16BrN/c14-11-3-5-12(6-4-11)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2/t9-,10+,13+/m1/s1
InChIKeyCYLAWOMCTZVWDY-NRUUGDAUSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine (CID 102478599) is (1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine is Brc1ccc(N[C@H]2C[C@@H]3CC[C@H]2C3)cc1.
What is the InChIKey of (1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is CYLAWOMCTZVWDY-NRUUGDAUSA-N. The full InChI is InChI=1S/C13H16BrN/c14-11-3-5-12(6-4-11)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2/t9-,10+,13+/m1/s1.
What are the key properties of (1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine?
(1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 266.18 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-N-(4-bromophenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 102478599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).