[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine

C14H19N — CID 10633650

IUPAC[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1
InChIInChI=1S/C14H19N/c15-9-13-11-6-7-12(8-11)14(13)10-4-2-1-3-5-10/h1-5,11-14H,6-9,15H2/t11-,12+,13+,14+/m1/s1
InChIKeyGELSJFZDHVLESJ-RFGFWPKPSA-N
MW201.31 g/mol
LogP2.78
Rot. Bonds2

About [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine

[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 10633650) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID10633650
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1
InChIInChI=1S/C14H19N/c15-9-13-11-6-7-12(8-11)14(13)10-4-2-1-3-5-10/h1-5,11-14H,6-9,15H2/t11-,12+,13+,14+/m1/s1
InChIKeyGELSJFZDHVLESJ-RFGFWPKPSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R,3R,4S)-3-(4-chlorophenyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 10564081
[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 154451237
(1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine
CID 13405457
(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol
CID 131123237
2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosane
CID 90691386
[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632
potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide
CID 121225738
[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine
CID 70430746
3,4-diphenyltricyclo[4.2.1.02,5]non-3-ene
CID 85345194
[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
CID 13296398
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
CID 124746264
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine (CID 10633650) is [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine is NC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is GELSJFZDHVLESJ-RFGFWPKPSA-N. The full InChI is InChI=1S/C14H19N/c15-9-13-11-6-7-12(8-11)14(13)10-4-2-1-3-5-10/h1-5,11-14H,6-9,15H2/t11-,12+,13+,14+/m1/s1.
What are the key properties of [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine?
[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 201.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 10633650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).