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

C18H21F2N — CID 107514165

IUPACN-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1-c1ccc(C)c(F)c1F
InChIInChI=1S/C18H21F2N/c1-11(2)21-10-14-7-5-12(3)16(9-14)15-8-6-13(4)17(19)18(15)20/h5-9,11,21H,10H2,1-4H3
InChIKeyBDDUTQSPKIVYIF-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.75
Rot. Bonds4

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

N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 107514165) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
PubChem CID107514165
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1-c1ccc(C)c(F)c1F
InChIInChI=1S/C18H21F2N/c1-11(2)21-10-14-7-5-12(3)16(9-14)15-8-6-13(4)17(19)18(15)20/h5-9,11,21H,10H2,1-4H3
InChIKeyBDDUTQSPKIVYIF-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408904
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408
N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine
CID 81447354
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 79692007

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine (CID 107514165) is N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine is Cc1ccc(CNC(C)C)cc1-c1ccc(C)c(F)c1F.
What is the InChIKey of N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is BDDUTQSPKIVYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-11(2)21-10-14-7-5-12(3)16(9-14)15-8-6-13(4)17(19)18(15)20/h5-9,11,21H,10H2,1-4H3.
What are the key properties of N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine has a molecular weight of 289.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 107514165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).