[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol

C15H23FN2O — CID 116634283

IUPAC[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol
SMILESNCc1ccc(CN2CCCCCC2CO)c(F)c1
InChIInChI=1S/C15H23FN2O/c16-15-8-12(9-17)5-6-13(15)10-18-7-3-1-2-4-14(18)11-19/h5-6,8,14,19H,1-4,7,9-11,17H2
InChIKeyQMOUZAHWIWPCMO-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.02
Rot. Bonds4

About [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol

[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol (PubChem CID 116634283) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol
PubChem CID116634283
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol
SMILESNCc1ccc(CN2CCCCCC2CO)c(F)c1
InChIInChI=1S/C15H23FN2O/c16-15-8-12(9-17)5-6-13(15)10-18-7-3-1-2-4-14(18)11-19/h5-6,8,14,19H,1-4,7,9-11,17H2
InChIKeyQMOUZAHWIWPCMO-UHFFFAOYSA-N
XLogP2.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 60684893
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 60584720
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
3-fluoro-4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzamide
CID 66261343
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxylate
CID 115538699
[1-[(2,4-dichlorophenyl)methyl]azepan-2-yl]methanol
CID 116637812
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
[1-[(3-fluoro-4-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116634428
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol (CID 116634283) is [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol is NCc1ccc(CN2CCCCCC2CO)c(F)c1.
What is the InChIKey of [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol?
The InChIKey is QMOUZAHWIWPCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c16-15-8-12(9-17)5-6-13(15)10-18-7-3-1-2-4-14(18)11-19/h5-6,8,14,19H,1-4,7,9-11,17H2.
What are the key properties of [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol?
[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol is sourced from PubChem (CID 116634283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).