N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine

C15H21F2NO — CID 115851784

IUPACN-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C1COC(C)C1
InChIInChI=1S/C15H21F2NO/c1-3-4-18-15(12-5-10(2)19-9-12)11-6-13(16)8-14(17)7-11/h6-8,10,12,15,18H,3-5,9H2,1-2H3
InChIKeyNWEZIJWDNWCOAT-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.43
Rot. Bonds5

About N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine

N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 115851784) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID115851784
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C1COC(C)C1
InChIInChI=1S/C15H21F2NO/c1-3-4-18-15(12-5-10(2)19-9-12)11-6-13(16)8-14(17)7-11/h6-8,10,12,15,18H,3-5,9H2,1-2H3
InChIKeyNWEZIJWDNWCOAT-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 ≤ 500269.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990
N-[(5-methyloxolan-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023309
N-[(5-fluoro-2-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825145
N-[(5-methyloxolan-3-yl)-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 114825144
N-[(5-methyloxolan-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115809309
N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 102653179
N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825356
N-[(3-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106648226
N-[(2,5-dibromo-4-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825362
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105045696

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine (CID 115851784) is N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cc(F)cc(F)c1)C1COC(C)C1.
What is the InChIKey of N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is NWEZIJWDNWCOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-4-18-15(12-5-10(2)19-9-12)11-6-13(16)8-14(17)7-11/h6-8,10,12,15,18H,3-5,9H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 269.33 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-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115851784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).