[(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C13H18N2O — CID 58634079

IUPAC[(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCN1C[C@@H]2[C@H](C1)C2(CO)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-15-6-11-12(7-15)13(11,8-16)9-3-2-4-10(14)5-9/h2-5,11-12,16H,6-8,14H2,1H3/t11-,12+,13?
InChIKeyRYYVGUCZUWFHMF-FUNVUKJBSA-N
MW218.30 g/mol
LogP0.69
Rot. Bonds2

About [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 58634079) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID58634079
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCN1C[C@@H]2[C@H](C1)C2(CO)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-15-6-11-12(7-15)13(11,8-16)9-3-2-4-10(14)5-9/h2-5,11-12,16H,6-8,14H2,1H3/t11-,12+,13?
InChIKeyRYYVGUCZUWFHMF-FUNVUKJBSA-N
XLogP0.69
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.69
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

6-(3-aminophenyl)-3-methyl-6-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 20702478
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
CID 117405631
ethanesulfonyl chloride;3-(6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl)aniline;N-[3-(6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]ethanesulfonamide
CID 157109541
(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
CID 178199859
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
CID 117368744
[(1S,5R)-6-amino-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 89470274
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827
3-(3-hexyl-6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)aniline;N-[3-(3-hexyl-6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide;methanesulfonyl chloride
CID 160823618
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
3-(3-fluoro-1-methylpiperidin-3-yl)aniline
CID 105461987
8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
CID 69428909
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 58634079) is [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is CN1C[C@@H]2[C@H](C1)C2(CO)c1cccc(N)c1.
What is the InChIKey of [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is RYYVGUCZUWFHMF-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-6-11-12(7-15)13(11,8-16)9-3-2-4-10(14)5-9/h2-5,11-12,16H,6-8,14H2,1H3/t11-,12+,13?.
What are the key properties of [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 218.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-(3-aminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 58634079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).