N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine

C15H21ClFNO2 — CID 63878672

IUPACN-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COc2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C15H21ClFNO2/c1-10(2)18-8-12-3-4-13(20-12)9-19-11-5-6-15(17)14(16)7-11/h5-7,10,12-13,18H,3-4,8-9H2,1-2H3
InChIKeyOKDQZGDYQAIIPS-UHFFFAOYSA-N
MW301.79 g/mol
LogP3.40
Rot. Bonds6

About N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine

N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 63878672) has the molecular formula C15H21ClFNO2 and a molecular weight of 301.79 g/mol. Its IUPAC name is N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID63878672
Molecular FormulaC15H21ClFNO2
Molecular Weight301.79 g/mol
Exact Mass301.12
IUPAC NameN-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COc2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C15H21ClFNO2/c1-10(2)18-8-12-3-4-13(20-12)9-19-11-5-6-15(17)14(16)7-11/h5-7,10,12-13,18H,3-4,8-9H2,1-2H3
InChIKeyOKDQZGDYQAIIPS-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 65201205
N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55077251
1-[5-[(3-bromo-4-fluorophenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 83234335
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62449780
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
1-[5-[(4-bromo-3-methylphenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 83134356
N-[2-(3-chloro-4-fluorophenoxy)ethyl]pentan-2-amine
CID 62598050
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 103042330

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine (CID 63878672) is N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(COc2ccc(F)c(Cl)c2)O1.
What is the InChIKey of N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is OKDQZGDYQAIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2/c1-10(2)18-8-12-3-4-13(20-12)9-19-11-5-6-15(17)14(16)7-11/h5-7,10,12-13,18H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 301.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63878672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).