[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone

C15H20F2N2O2 — CID 116639899

IUPAC[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
SMILESNCC1CCCCCN1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-7-5-11(6-8-13)14(20)19-9-3-1-2-4-12(19)10-18/h5-8,12,15H,1-4,9-10,18H2
InChIKeyFSDDPPGUJDDGNH-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.63
Rot. Bonds4

About [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone

[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone (PubChem CID 116639899) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
PubChem CID116639899
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
SMILESNCC1CCCCCN1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-7-5-11(6-8-13)14(20)19-9-3-1-2-4-12(19)10-18/h5-8,12,15H,1-4,9-10,18H2
InChIKeyFSDDPPGUJDDGNH-UHFFFAOYSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone with MolForge

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Related Compounds

[4-(difluoromethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 90649899
[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79538817
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55241766
[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119468773
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 103440957
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[4-(difluoromethoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484657
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
CID 119469301
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 23607119

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone (CID 116639899) is [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone is NCC1CCCCCN1C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
The InChIKey is FSDDPPGUJDDGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-15(17)21-13-7-5-11(6-8-13)14(20)19-9-3-1-2-4-12(19)10-18/h5-8,12,15H,1-4,9-10,18H2.
What are the key properties of [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone has a molecular weight of 298.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116639899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).