(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol

C16H23NO — CID 125183065

IUPAC(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol
SMILESCN(C[C@H](O)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H23NO/c1-17(15-10-12-7-8-14(15)9-12)11-16(18)13-5-3-2-4-6-13/h2-6,12,14-16,18H,7-11H2,1H3/t12-,14-,15-,16-/m0/s1
InChIKeyQPJACXYEMOQCLG-TUUVXOQKSA-N
MW245.37 g/mol
LogP2.84
Rot. Bonds4

About (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol

(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol (PubChem CID 125183065) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol
PubChem CID125183065
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol
SMILESCN(C[C@H](O)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H23NO/c1-17(15-10-12-7-8-14(15)9-12)11-16(18)13-5-3-2-4-6-13/h2-6,12,14-16,18H,7-11H2,1H3/t12-,14-,15-,16-/m0/s1
InChIKeyQPJACXYEMOQCLG-TUUVXOQKSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol with MolForge

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Related Compounds

(1S)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
CID 100859470
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol
CID 63681601
(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
CID 100859471
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
CID 21174649
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
CID 111701832
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine
CID 1378401
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
CID 103960164
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol (CID 125183065) is (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol is CN(C[C@H](O)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol?
The InChIKey is QPJACXYEMOQCLG-TUUVXOQKSA-N. The full InChI is InChI=1S/C16H23NO/c1-17(15-10-12-7-8-14(15)9-12)11-16(18)13-5-3-2-4-6-13/h2-6,12,14-16,18H,7-11H2,1H3/t12-,14-,15-,16-/m0/s1.
What are the key properties of (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol?
(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol has a molecular weight of 245.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol is sourced from PubChem (CID 125183065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).