2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine

C13H17FN2O — CID 82389201

IUPAC2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccc(F)cc1CC1NCC2C(N)C12
InChIInChI=1S/C13H17FN2O/c1-17-11-3-2-8(14)4-7(11)5-10-12-9(6-16-10)13(12)15/h2-4,9-10,12-13,16H,5-6,15H2,1H3
InChIKeySIHXZWKEVIAKKR-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.92
Rot. Bonds3

About 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine

2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 82389201) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID82389201
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccc(F)cc1CC1NCC2C(N)C12
InChIInChI=1S/C13H17FN2O/c1-17-11-3-2-8(14)4-7(11)5-10-12-9(6-16-10)13(12)15/h2-4,9-10,12-13,16H,5-6,15H2,1H3
InChIKeySIHXZWKEVIAKKR-UHFFFAOYSA-N
XLogP0.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 143195185
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3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
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CID 24688819
2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]acetonitrile
CID 140530631
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 82083610
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
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CID 175530284

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine (CID 82389201) is 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine is COc1ccc(F)cc1CC1NCC2C(N)C12.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is SIHXZWKEVIAKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-17-11-3-2-8(14)4-7(11)5-10-12-9(6-16-10)13(12)15/h2-4,9-10,12-13,16H,5-6,15H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 236.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 82389201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).