N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine

C15H24FN3O — CID 90185699

IUPACN-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine
SMILESCOc1ccc(N)c(CCNC2CCN(C)CC2F)c1
InChIInChI=1S/C15H24FN3O/c1-19-8-6-15(13(16)10-19)18-7-5-11-9-12(20-2)3-4-14(11)17/h3-4,9,13,15,18H,5-8,10,17H2,1-2H3
InChIKeyMZRBHCSRIADFLI-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.45
Rot. Bonds5

About N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine

N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine (PubChem CID 90185699) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine
PubChem CID90185699
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC NameN-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine
SMILESCOc1ccc(N)c(CCNC2CCN(C)CC2F)c1
InChIInChI=1S/C15H24FN3O/c1-19-8-6-15(13(16)10-19)18-7-5-11-9-12(20-2)3-4-14(11)17/h3-4,9,13,15,18H,5-8,10,17H2,1-2H3
InChIKeyMZRBHCSRIADFLI-UHFFFAOYSA-N
XLogP1.45
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline
CID 115414217
2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol
CID 107227048
4-(2-amino-5-methoxyphenyl)butan-2-ol
CID 23434309
2-(2-aminoethyl)-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052637
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxyaniline
CID 115413949
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 61264001
2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61462084
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline
CID 113305294
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 113305258

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine (CID 90185699) is N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine is COc1ccc(N)c(CCNC2CCN(C)CC2F)c1.
What is the InChIKey of N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine?
The InChIKey is MZRBHCSRIADFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-19-8-6-15(13(16)10-19)18-7-5-11-9-12(20-2)3-4-14(11)17/h3-4,9,13,15,18H,5-8,10,17H2,1-2H3.
What are the key properties of N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine?
N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine has a molecular weight of 281.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine is sourced from PubChem (CID 90185699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).