N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine

C17H20FN — CID 115790326

IUPACN-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cccc(C)c1F
InChIInChI=1S/C17H20FN/c1-4-19-17(14-9-5-7-12(2)11-14)15-10-6-8-13(3)16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeySTGZLYWROLPSRB-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.14
Rot. Bonds4

About N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine

N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 115790326) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID115790326
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cccc(C)c1F
InChIInChI=1S/C17H20FN/c1-4-19-17(14-9-5-7-12(2)11-14)15-10-6-8-13(3)16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeySTGZLYWROLPSRB-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[(4-bromo-2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81482342
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861982
N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104659903
N-[(3-bromo-2,6-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 106942276
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine (CID 115790326) is N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1cccc(C)c1F.
What is the InChIKey of N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is STGZLYWROLPSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-19-17(14-9-5-7-12(2)11-14)15-10-6-8-13(3)16(15)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine?
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115790326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).