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

C16H23N — CID 97036416

IUPAC(1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@]2(c3ccccc3)CC[C@@]1(C)[C@@H](N)C2
InChIInChI=1S/C16H23N/c1-14(2)15(3)9-10-16(14,11-13(15)17)12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3/t13-,15-,16+/m0/s1
InChIKeyNEAWUDPEOCRETE-CWRNSKLLSA-N
MW229.37 g/mol
LogP3.48
Rot. Bonds1

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

(1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine (PubChem CID 97036416) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine
PubChem CID97036416
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@]2(c3ccccc3)CC[C@@]1(C)[C@@H](N)C2
InChIInChI=1S/C16H23N/c1-14(2)15(3)9-10-16(14,11-13(15)17)12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3/t13-,15-,16+/m0/s1
InChIKeyNEAWUDPEOCRETE-CWRNSKLLSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Launch Full Analysis

Related Compounds

(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine
CID 79332606
cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride
CID 173470709
5,7-dimethyl-1-phenyladamantane-2,2-diamine
CID 141394164
4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol
CID 20692221
ethane;3-fluoro-3-phenylcyclobutan-1-amine
CID 178166277
1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
CID 68895646
2,2-dimethyl-6,6-diphenylcyclohexan-1-amine
CID 174905088
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
trimethyl-[(Z)-2-[(1S)-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexan-1-yl]ethenyl]silane
CID 101272906
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
2-methyl-2-phenylthian-4-amine
CID 167722748

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine (CID 97036416) is (1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine is CC1(C)[C@]2(c3ccccc3)CC[C@@]1(C)[C@@H](N)C2.
What is the InChIKey of (1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is NEAWUDPEOCRETE-CWRNSKLLSA-N. The full InChI is InChI=1S/C16H23N/c1-14(2)15(3)9-10-16(14,11-13(15)17)12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3/t13-,15-,16+/m0/s1.
What are the key properties of (1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine?
(1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 97036416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).