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

C15H21ClFNO — CID 62718517

IUPACN-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2c(F)cccc2Cl)CCOC1
InChIInChI=1S/C15H21ClFNO/c1-11(2)18-9-15(6-7-19-10-15)8-12-13(16)4-3-5-14(12)17/h3-5,11,18H,6-10H2,1-2H3
InChIKeyRCXKTGAEAHWPEC-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.43
Rot. Bonds5

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

N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62718517) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62718517
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC NameN-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2c(F)cccc2Cl)CCOC1
InChIInChI=1S/C15H21ClFNO/c1-11(2)18-9-15(6-7-19-10-15)8-12-13(16)4-3-5-14(12)17/h3-5,11,18H,6-10H2,1-2H3
InChIKeyRCXKTGAEAHWPEC-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.43
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]cyclopropanamine
CID 55111722
N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718189
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55111579
[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 114933501
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 114933661
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 102940532
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 64771405
2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol
CID 126779399

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62718517) is N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2c(F)cccc2Cl)CCOC1.
What is the InChIKey of N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is RCXKTGAEAHWPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-11(2)18-9-15(6-7-19-10-15)8-12-13(16)4-3-5-14(12)17/h3-5,11,18H,6-10H2,1-2H3.
What are the key properties of N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 285.79 g/mol, XLogP of 3.43, 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]propan-2-amine is sourced from PubChem (CID 62718517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).