(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine

C16H23N — CID 22629760

IUPAC(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@H](Nc1ccccc1)C2
InChIInChI=1S/C16H23N/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3/t12-,14-,16-/m1/s1
InChIKeyGQQDHADMSIWBFT-XNRPHZJLSA-N
MW229.37 g/mol
LogP4.31
Rot. Bonds2

About (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine

(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine (PubChem CID 22629760) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
PubChem CID22629760
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@H](Nc1ccccc1)C2
InChIInChI=1S/C16H23N/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3/t12-,14-,16-/m1/s1
InChIKeyGQQDHADMSIWBFT-XNRPHZJLSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine (CID 22629760) is (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine is CC1(C)[C@@H]2CC[C@]1(C)[C@H](Nc1ccccc1)C2.
What is the InChIKey of (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is GQQDHADMSIWBFT-XNRPHZJLSA-N. The full InChI is InChI=1S/C16H23N/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3/t12-,14-,16-/m1/s1.
What are the key properties of (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 22629760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).