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

C18H21F2N — CID 105410097

IUPACN-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(-c2cc(CNC(C)C)ccc2C)c(F)cc1F
InChIInChI=1S/C18H21F2N/c1-11(2)21-10-14-6-5-12(3)15(8-14)16-7-13(4)17(19)9-18(16)20/h5-9,11,21H,10H2,1-4H3
InChIKeyRTBQBYMMQQXEHQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.75
Rot. Bonds4

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

N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 105410097) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
PubChem CID105410097
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(-c2cc(CNC(C)C)ccc2C)c(F)cc1F
InChIInChI=1S/C18H21F2N/c1-11(2)21-10-14-6-5-12(3)15(8-14)16-7-13(4)17(19)9-18(16)20/h5-9,11,21H,10H2,1-4H3
InChIKeyRTBQBYMMQQXEHQ-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-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340
[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methanamine
CID 105410096
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408904
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine (CID 105410097) is N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine is Cc1cc(-c2cc(CNC(C)C)ccc2C)c(F)cc1F.
What is the InChIKey of N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is RTBQBYMMQQXEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-11(2)21-10-14-6-5-12(3)15(8-14)16-7-13(4)17(19)9-18(16)20/h5-9,11,21H,10H2,1-4H3.
What are the key properties of N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(2,4-difluoro-5-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-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105410097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).