4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride

C16H21ClF2N2O2 — CID 120933820

IUPAC4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CC2c2c(F)cccc2F)CCOCC1
InChIInChI=1S/C16H20F2N2O2.ClH/c17-11-2-1-3-12(18)14(11)10-8-13(10)20-15(21)16(9-19)4-6-22-7-5-16;/h1-3,10,13H,4-9,19H2,(H,20,21);1H
InChIKeyJAPSASLOGWSBHS-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.11
Rot. Bonds4

About 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120933820) has the molecular formula C16H21ClF2N2O2 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride
PubChem CID120933820
Molecular FormulaC16H21ClF2N2O2
Molecular Weight346.81 g/mol
Exact Mass346.13
IUPAC Name4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CC2c2c(F)cccc2F)CCOCC1
InChIInChI=1S/C16H20F2N2O2.ClH/c17-11-2-1-3-12(18)14(11)10-8-13(10)20-15(21)16(9-19)4-6-22-7-5-16;/h1-3,10,13H,4-9,19H2,(H,20,21);1H
InChIKeyJAPSASLOGWSBHS-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(3-fluorophenyl)cyclopropyl]oxane-4-carboxamide
CID 120928202
4-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]oxane-4-carboxamide
CID 120930074
4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride
CID 120936384
4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide
CID 120935074
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
CID 120931146
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
4-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]oxane-4-carboxamide
CID 120921952
4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120920314
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride (CID 120933820) is 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NC2CC2c2c(F)cccc2F)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is JAPSASLOGWSBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2.ClH/c17-11-2-1-3-12(18)14(11)10-8-13(10)20-15(21)16(9-19)4-6-22-7-5-16;/h1-3,10,13H,4-9,19H2,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 346.81 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120933820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).