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

C18H27NO — CID 115400798

IUPAC2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
SMILESCC1(C)C(NC(CO)c2ccccc2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C18H27NO/c1-17(2)14-9-10-18(3,11-14)16(17)19-15(12-20)13-7-5-4-6-8-13/h4-8,14-16,19-20H,9-12H2,1-3H3/t14-,15?,16?,18+/m0/s1
InChIKeyLNABKSVSNFZXTD-MMIPBJDJSA-N
MW273.42 g/mol
LogP3.52
Rot. Bonds4

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

2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol (PubChem CID 115400798) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
PubChem CID115400798
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
SMILESCC1(C)C(NC(CO)c2ccccc2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C18H27NO/c1-17(2)14-9-10-18(3,11-14)16(17)19-15(12-20)13-7-5-4-6-8-13/h4-8,14-16,19-20H,9-12H2,1-3H3/t14-,15?,16?,18+/m0/s1
InChIKeyLNABKSVSNFZXTD-MMIPBJDJSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol with MolForge

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Related Compounds

(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115400500
(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
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 115400216
(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211
(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400949
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400352
4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 114210473
(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol
CID 107093789
2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine
CID 130557090
(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
CID 103921748

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol?
The IUPAC name of 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol (CID 115400798) is 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol.
What is the SMILES notation for 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol?
The canonical SMILES for 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol is CC1(C)C(NC(CO)c2ccccc2)[C@]2(C)CC[C@H]1C2.
What is the InChIKey of 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol?
The InChIKey is LNABKSVSNFZXTD-MMIPBJDJSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2)14-9-10-18(3,11-14)16(17)19-15(12-20)13-7-5-4-6-8-13/h4-8,14-16,19-20H,9-12H2,1-3H3/t14-,15?,16?,18+/m0/s1.
What are the key properties of 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol?
2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol has a molecular weight of 273.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol is sourced from PubChem (CID 115400798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).