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

C16H23N — CID 113302672

IUPAC(1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C(Nc2ccccc2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C16H23N/c1-15(2)12-9-10-16(3,11-12)14(15)17-13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3/t12-,14?,16+/m0/s1
InChIKeyFTQMQNHNBGCQCY-RAAOQPIXSA-N
MW229.37 g/mol
LogP4.31
Rot. Bonds2

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

(1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine (PubChem CID 113302672) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
PubChem CID113302672
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C(Nc2ccccc2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C16H23N/c1-15(2)12-9-10-16(3,11-12)14(15)17-13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3/t12-,14?,16+/m0/s1
InChIKeyFTQMQNHNBGCQCY-RAAOQPIXSA-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

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Related Compounds

1-(2-Fluorophenyl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 60463950
1-(2-fluorophenyl)-3-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 162660887
1-(2-fluorophenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 162669066
(1-Bicyclo[2.2.1]hept-2-ylethyl)[4-(dimethylamino)benzyl]amine hydrochloride
CID 2967205
1-[(4-aminophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
CID 44591885
1-[[4-(dimethylamino)phenyl]methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
CID 44591886
(1S,4S)-1,7,7-Trimethyl-N-phenylbicyclo[2.2.1]heptan-2-aminium chloride
CID 16682066
N-benzyl-N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)amine
CID 32568
(1R,2R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-amine
CID 90670990
(1R,3aR,4S,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-N-phenyl-1,2,3,3a,4,5,6,7-octahydroinden-4-amine
CID 155539542
1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 3787978
2-[(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl)amino]-N-cyclohexyl-N-phenylacetamide
CID 2802703

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine (CID 113302672) is (1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine is CC1(C)C(Nc2ccccc2)[C@]2(C)CC[C@H]1C2.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is FTQMQNHNBGCQCY-RAAOQPIXSA-N. The full InChI is InChI=1S/C16H23N/c1-15(2)12-9-10-16(3,11-12)14(15)17-13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3/t12-,14?,16+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-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 (1R,4S)-1,3,3-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 113302672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).