N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C15H19ClFNO — CID 55111722

IUPACN-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(Cl)c1CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H19ClFNO/c16-13-2-1-3-14(17)12(13)8-15(6-7-19-10-15)9-18-11-4-5-11/h1-3,11,18H,4-10H2
InChIKeyYHRQQQPJEDLMDR-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.18
Rot. Bonds5

About N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55111722) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55111722
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC NameN-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(Cl)c1CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H19ClFNO/c16-13-2-1-3-14(17)12(13)8-15(6-7-19-10-15)9-18-11-4-5-11/h1-3,11,18H,4-10H2
InChIKeyYHRQQQPJEDLMDR-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718517
2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol
CID 126779399
N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62718679
N-[[3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62717882
N-[[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 107897466
[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 114933501
N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62719385
N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906105
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 102940533
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906967

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 55111722) is N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine is Fc1cccc(Cl)c1CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is YHRQQQPJEDLMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-13-2-1-3-14(17)12(13)8-15(6-7-19-10-15)9-18-11-4-5-11/h1-3,11,18H,4-10H2.
What are the key properties of N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 283.77 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55111722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).