N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine

C14H19BrFNO — CID 79368537

IUPACN-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO/c1-9(2)17-8-10-5-6-18-14(10)12-7-11(15)3-4-13(12)16/h3-4,7,9-10,14,17H,5-6,8H2,1-2H3
InChIKeyYDFLBCSUTQQCPE-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.66
Rot. Bonds4

About N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine

N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79368537) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID79368537
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC NameN-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO/c1-9(2)17-8-10-5-6-18-14(10)12-7-11(15)3-4-13(12)16/h3-4,7,9-10,14,17H,5-6,8H2,1-2H3
InChIKeyYDFLBCSUTQQCPE-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane
CID 79373521
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365705
N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368925
N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365830
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79367897
N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368166
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine
CID 79367671
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033901
1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79365802
N-[[2-(4-bromo-2-fluorophenyl)oxan-3-yl]methyl]propan-1-amine
CID 79365554

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine (CID 79368537) is N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1CCOC1c1cc(Br)ccc1F.
What is the InChIKey of N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is YDFLBCSUTQQCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-9(2)17-8-10-5-6-18-14(10)12-7-11(15)3-4-13(12)16/h3-4,7,9-10,14,17H,5-6,8H2,1-2H3.
What are the key properties of N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 316.21 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79368537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).