N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine

C15H15F2N — CID 43312720

IUPACN-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCc1cccc(CNCc2cc(F)ccc2F)c1
InChIInChI=1S/C15H15F2N/c1-11-3-2-4-12(7-11)9-18-10-13-8-14(16)5-6-15(13)17/h2-8,18H,9-10H2,1H3
InChIKeyQUFFDUHVRUUMFB-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.56
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine

N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine (PubChem CID 43312720) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
PubChem CID43312720
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCc1cccc(CNCc2cc(F)ccc2F)c1
InChIInChI=1S/C15H15F2N/c1-11-3-2-4-12(7-11)9-18-10-13-8-14(16)5-6-15(13)17/h2-8,18H,9-10H2,1H3
InChIKeyQUFFDUHVRUUMFB-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62049325
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43423933
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine (CID 43312720) is N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine is Cc1cccc(CNCc2cc(F)ccc2F)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is QUFFDUHVRUUMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-11-3-2-4-12(7-11)9-18-10-13-8-14(16)5-6-15(13)17/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine?
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 247.29 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 43312720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).