[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine

C18H21N — CID 154451237

IUPAC[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNC[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C18H21N/c19-11-17-14-6-8-16(10-14)18(17)15-7-5-12-3-1-2-4-13(12)9-15/h1-5,7,9,14,16-18H,6,8,10-11,19H2/t14?,16?,17-,18-/m1/s1
InChIKeyDRFXVDTUECBSPD-XAWIXRBMSA-N
MW251.37 g/mol
LogP3.93
Rot. Bonds2

About [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine

[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 154451237) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID154451237
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNC[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C18H21N/c19-11-17-14-6-8-16(10-14)18(17)15-7-5-12-3-1-2-4-13(12)9-15/h1-5,7,9,14,16-18H,6,8,10-11,19H2/t14?,16?,17-,18-/m1/s1
InChIKeyDRFXVDTUECBSPD-XAWIXRBMSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 101346500
[(1R,2R,3R,4S)-3-(4-chlorophenyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 10564081
(2-naphthalen-2-ylcyclopropyl)methanamine;hydrochloride
CID 68926193
2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene
CID 101353270
2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine
CID 59042142
[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine
CID 118052996
(5-naphthalen-2-yloxolan-2-yl)methanamine
CID 11637187
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
2-cyclopropylanthracene
CID 91468721
2-[(1R)-3-cyclopropyl-2,3-dihydro-1H-inden-1-yl]naphthalene
CID 142137926
5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 155345745
[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine (CID 154451237) is [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine is NC[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is DRFXVDTUECBSPD-XAWIXRBMSA-N. The full InChI is InChI=1S/C18H21N/c19-11-17-14-6-8-16(10-14)18(17)15-7-5-12-3-1-2-4-13(12)9-15/h1-5,7,9,14,16-18H,6,8,10-11,19H2/t14?,16?,17-,18-/m1/s1.
What are the key properties of [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine?
[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 154451237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).