N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine

C16H17F2N — CID 43491063

IUPACN-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-3-19-16(12-6-4-5-11(2)9-12)14-8-7-13(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyZQHFPXUNNQUDSP-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.97
Rot. Bonds4

About N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine

N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 43491063) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID43491063
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-3-19-16(12-6-4-5-11(2)9-12)14-8-7-13(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyZQHFPXUNNQUDSP-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
N-[(2,4-difluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493625
N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 114727898
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490583
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine (CID 43491063) is N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is ZQHFPXUNNQUDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-19-16(12-6-4-5-11(2)9-12)14-8-7-13(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine?
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43491063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).