cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine

C11H15NO — CID 10512782

IUPACcis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
SMILESN[C@H]1CC[C@H]1OCc1ccccc1
InChIInChI=1S/C11H15NO/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t10-,11+/m0/s1
InChIKeyPWZQZJTVISDNTA-WDEREUQCSA-N
MW177.25 g/mol
LogP1.69
Rot. Bonds3

About cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine

cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine (PubChem CID 10512782) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
PubChem CID10512782
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namecis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
SMILESN[C@H]1CC[C@H]1OCc1ccccc1
InChIInChI=1S/C11H15NO/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t10-,11+/m0/s1
InChIKeyPWZQZJTVISDNTA-WDEREUQCSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
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CID 178083267
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
3-phenylmethoxyoxan-4-amine;hydrochloride
CID 154733293
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine
CID 54376655
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
6-phenylmethoxycyclohex-2-en-1-amine
CID 22329463
1-methyl-4-phenylmethoxypyrrolidin-3-amine
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[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine?
The IUPAC name of cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine (CID 10512782) is cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine is N[C@H]1CC[C@H]1OCc1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine?
The InChIKey is PWZQZJTVISDNTA-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15NO/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine?
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine is sourced from PubChem (CID 10512782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).