N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine

C15H21F2NO — CID 115530338

IUPACN-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1cccc(C(F)F)c1
InChIInChI=1S/C15H21F2NO/c1-2-7-18-10-13-6-8-19-14(13)11-4-3-5-12(9-11)15(16)17/h3-5,9,13-15,18H,2,6-8,10H2,1H3
InChIKeyLBHRVBJZZFZXTG-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.70
Rot. Bonds6

About N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine

N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 115530338) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID115530338
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1cccc(C(F)F)c1
InChIInChI=1S/C15H21F2NO/c1-2-7-18-10-13-6-8-19-14(13)11-4-3-5-12(9-11)15(16)17/h3-5,9,13-15,18H,2,6-8,10H2,1H3
InChIKeyLBHRVBJZZFZXTG-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 115530341
N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 106534593
N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79978075
2-[3-(difluoromethyl)phenyl]oxolan-3-amine
CID 115530352
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79367591
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79367501
N-[[2-(3-bromophenyl)oxolan-3-yl]methyl]ethanamine
CID 79368720
N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
CID 79368723
N-[[2-(4-bromo-3-fluorophenyl)oxan-3-yl]methyl]propan-1-amine
CID 81440274
N-[[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79370721
N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79368626

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine (CID 115530338) is N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1CCOC1c1cccc(C(F)F)c1.
What is the InChIKey of N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is LBHRVBJZZFZXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-7-18-10-13-6-8-19-14(13)11-4-3-5-12(9-11)15(16)17/h3-5,9,13-15,18H,2,6-8,10H2,1H3.
What are the key properties of N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 115530338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).