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

C16H23F2NO — CID 107516032

IUPACN-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1F)C1OCCC1C
InChIInChI=1S/C16H23F2NO/c1-4-8-19-15(16-11(3)7-9-20-16)12-6-5-10(2)13(17)14(12)18/h5-6,11,15-16,19H,4,7-9H2,1-3H3
InChIKeyZISPOMUWSZRVOX-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.74
Rot. Bonds5

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

N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 107516032) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID107516032
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1F)C1OCCC1C
InChIInChI=1S/C16H23F2NO/c1-4-8-19-15(16-11(3)7-9-20-16)12-6-5-10(2)13(17)14(12)18/h5-6,11,15-16,19H,4,7-9H2,1-3H3
InChIKeyZISPOMUWSZRVOX-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 107516672
N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105022561
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105024939
N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 107515367
N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107515369
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115856200
N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 107515524
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 106764501

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (CID 107516032) is N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(F)c1F)C1OCCC1C.
What is the InChIKey of N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is ZISPOMUWSZRVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-4-8-19-15(16-11(3)7-9-20-16)12-6-5-10(2)13(17)14(12)18/h5-6,11,15-16,19H,4,7-9H2,1-3H3.
What are the key properties of N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 3.74, 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)-(3-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107516032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).