[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine

C16H24FN3 — CID 79175481

IUPAC[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
SMILESCN1C2CCC1CN(Cc1ccc(CN)cc1F)CC2
InChIInChI=1S/C16H24FN3/c1-19-14-4-5-15(19)11-20(7-6-14)10-13-3-2-12(9-18)8-16(13)17/h2-3,8,14-15H,4-7,9-11,18H2,1H3
InChIKeyQJEGSSCOSQGQPM-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.95
Rot. Bonds3

About [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine

[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine (PubChem CID 79175481) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
PubChem CID79175481
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
SMILESCN1C2CCC1CN(Cc1ccc(CN)cc1F)CC2
InChIInChI=1S/C16H24FN3/c1-19-14-4-5-15(19)11-20(7-6-14)10-13-3-2-12(9-18)8-16(13)17/h2-3,8,14-15H,4-7,9-11,18H2,1H3
InChIKeyQJEGSSCOSQGQPM-UHFFFAOYSA-N
XLogP1.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine with MolForge

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Related Compounds

1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166063
[3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 114537265
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine
CID 63604704
2-fluoro-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarbothioamide
CID 107879438
3-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 79174436
[3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine
CID 79687646
methyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383148
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170746
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
3-methoxy-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 107208482
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383296
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579488

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine (CID 79175481) is [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine is CN1C2CCC1CN(Cc1ccc(CN)cc1F)CC2.
What is the InChIKey of [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine?
The InChIKey is QJEGSSCOSQGQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-19-14-4-5-15(19)11-20(7-6-14)10-13-3-2-12(9-18)8-16(13)17/h2-3,8,14-15H,4-7,9-11,18H2,1H3.
What are the key properties of [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine?
[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine has a molecular weight of 277.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 79175481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).