3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline

C11H16N2O — CID 178083267

IUPAC3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline
SMILESNc1cccc(CO[C@@H]2CC[C@H]2N)c1
InChIInChI=1S/C11H16N2O/c12-9-3-1-2-8(6-9)7-14-11-5-4-10(11)13/h1-3,6,10-11H,4-5,7,12-13H2/t10-,11-/m1/s1
InChIKeyHIASWKRVHZICOC-GHMZBOCLSA-N
MW192.26 g/mol
LogP1.28
Rot. Bonds3

About 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline

3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline (PubChem CID 178083267) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline.

Molecular Properties

Compound Name3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline
PubChem CID178083267
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline
SMILESNc1cccc(CO[C@@H]2CC[C@H]2N)c1
InChIInChI=1S/C11H16N2O/c12-9-3-1-2-8(6-9)7-14-11-5-4-10(11)13/h1-3,6,10-11H,4-5,7,12-13H2/t10-,11-/m1/s1
InChIKeyHIASWKRVHZICOC-GHMZBOCLSA-N
XLogP1.28
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
CID 126644466
2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
CID 113395242
2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(3S,3aR,6S,6aR)-6-[(3-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 131632068
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine
CID 113439770
3-phenylmethoxyoxan-4-amine;hydrochloride
CID 154733293

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline?
The IUPAC name of 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline (CID 178083267) is 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline.
What is the SMILES notation for 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline?
The canonical SMILES for 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline is Nc1cccc(CO[C@@H]2CC[C@H]2N)c1.
What is the InChIKey of 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline?
The InChIKey is HIASWKRVHZICOC-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16N2O/c12-9-3-1-2-8(6-9)7-14-11-5-4-10(11)13/h1-3,6,10-11H,4-5,7,12-13H2/t10-,11-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline?
3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline has a molecular weight of 192.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline is sourced from PubChem (CID 178083267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).