N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

C16H23F2NO — CID 107515367

IUPACN-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1F)C1CCC(C)O1
InChIInChI=1S/C16H23F2NO/c1-4-9-19-16(13-8-6-11(3)20-13)12-7-5-10(2)14(17)15(12)18/h5,7,11,13,16,19H,4,6,8-9H2,1-3H3
InChIKeyXLFULYCZKLSTAS-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.88
Rot. Bonds5

About N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 107515367) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID107515367
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1F)C1CCC(C)O1
InChIInChI=1S/C16H23F2NO/c1-4-9-19-16(13-8-6-11(3)20-13)12-7-5-10(2)14(17)15(12)18/h5,7,11,13,16,19H,4,6,8-9H2,1-3H3
InChIKeyXLFULYCZKLSTAS-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 107516568
N-[(3-fluoro-4-pyridinyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105038262
N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107515369
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115791948
N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115796924
N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 107515524
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988409
N-[(4-methoxy-3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 83045842
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[(5-bromo-2-methoxyphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330322
N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330427

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (CID 107515367) is N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(F)c1F)C1CCC(C)O1.
What is the InChIKey of N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is XLFULYCZKLSTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-4-9-19-16(13-8-6-11(3)20-13)12-7-5-10(2)14(17)15(12)18/h5,7,11,13,16,19H,4,6,8-9H2,1-3H3.
What are the key properties of N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107515367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).