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

C20H31N — CID 115400500

IUPAC(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)C(NC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1
InChIInChI=1S/C20H31N/c1-14(2)17(15-9-7-6-8-10-15)21-18-19(3,4)16-11-12-20(18,5)13-16/h6-10,14,16-18,21H,11-13H2,1-5H3/t16-,17?,18?,20+/m0/s1
InChIKeyKBUCXIZGMUGTGF-USWSCHJFSA-N
MW285.48 g/mol
LogP5.19
Rot. Bonds4

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

(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115400500) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115400500
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)C(NC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1
InChIInChI=1S/C20H31N/c1-14(2)17(15-9-7-6-8-10-15)21-18-19(3,4)16-11-12-20(18,5)13-16/h6-10,14,16-18,21H,11-13H2,1-5H3/t16-,17?,18?,20+/m0/s1
InChIKeyKBUCXIZGMUGTGF-USWSCHJFSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
CID 115400798
(1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115400383
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115400384
(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400949
1,3,3-trimethyl-N-[(1R)-1-pyridin-4-ylethyl]bicyclo[2.2.1]heptan-2-amine
CID 81405698
(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400352
1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine
CID 82710310
(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400818
2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine
CID 79916834
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 115400216
1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 102612777
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine (CID 115400500) is (1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine is CC(C)C(NC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KBUCXIZGMUGTGF-USWSCHJFSA-N. The full InChI is InChI=1S/C20H31N/c1-14(2)17(15-9-7-6-8-10-15)21-18-19(3,4)16-11-12-20(18,5)13-16/h6-10,14,16-18,21H,11-13H2,1-5H3/t16-,17?,18?,20+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 285.48 g/mol, XLogP of 5.19, 4 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-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).