N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine

C15H21F2NO — CID 62213882

IUPACN-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C1CCCCO1
InChIInChI=1S/C15H21F2NO/c1-2-8-18-15(14-5-3-4-9-19-14)11-6-7-12(16)13(17)10-11/h6-7,10,14-15,18H,2-5,8-9H2,1H3
InChIKeyHZSOCFXNZAKNPR-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.57
Rot. Bonds5

About N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine

N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine (PubChem CID 62213882) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
PubChem CID62213882
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C1CCCCO1
InChIInChI=1S/C15H21F2NO/c1-2-8-18-15(14-5-3-4-9-19-14)11-6-7-12(16)13(17)10-11/h6-7,10,14-15,18H,2-5,8-9H2,1H3
InChIKeyHZSOCFXNZAKNPR-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
CID 43495861
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 107131023
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65414607

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine (CID 62213882) is N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(F)c1)C1CCCCO1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine?
The InChIKey is HZSOCFXNZAKNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-8-18-15(14-5-3-4-9-19-14)11-6-7-12(16)13(17)10-11/h6-7,10,14-15,18H,2-5,8-9H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine?
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62213882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).