cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol

C12H17NO — CID 10609367

IUPACcis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
SMILESC[C@@H](N[C@@H]1CC[C@@H]1O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(11)14/h2-6,9,11-14H,7-8H2,1H3/t9-,11-,12+/m1/s1
InChIKeyWIOBLVRROUHUGI-JLLWLGSASA-N
MW191.27 g/mol
LogP1.86
Rot. Bonds3

About cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol

cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol (PubChem CID 10609367) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
PubChem CID10609367
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namecis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
SMILESC[C@@H](N[C@@H]1CC[C@@H]1O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(11)14/h2-6,9,11-14H,7-8H2,1H3/t9-,11-,12+/m1/s1
InChIKeyWIOBLVRROUHUGI-JLLWLGSASA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
CID 10883424
[(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate
CID 175031310
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
[[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]amino] benzoate
CID 147000261

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol (CID 10609367) is cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol is C[C@@H](N[C@@H]1CC[C@@H]1O)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol?
The InChIKey is WIOBLVRROUHUGI-JLLWLGSASA-N. The full InChI is InChI=1S/C12H17NO/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(11)14/h2-6,9,11-14H,7-8H2,1H3/t9-,11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol?
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol is sourced from PubChem (CID 10609367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).