3-[[(2,4-difluorophenyl)methylamino]methyl]aniline

C14H14F2N2 — CID 115211908

IUPAC3-[[(2,4-difluorophenyl)methylamino]methyl]aniline
SMILESNc1cccc(CNCc2ccc(F)cc2F)c1
InChIInChI=1S/C14H14F2N2/c15-12-5-4-11(14(16)7-12)9-18-8-10-2-1-3-13(17)6-10/h1-7,18H,8-9,17H2
InChIKeyDEBKAKFGIQYUJY-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.84
Rot. Bonds4

About 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline

3-[[(2,4-difluorophenyl)methylamino]methyl]aniline (PubChem CID 115211908) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline.

Molecular Properties

Compound Name3-[[(2,4-difluorophenyl)methylamino]methyl]aniline
PubChem CID115211908
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name3-[[(2,4-difluorophenyl)methylamino]methyl]aniline
SMILESNc1cccc(CNCc2ccc(F)cc2F)c1
InChIInChI=1S/C14H14F2N2/c15-12-5-4-11(14(16)7-12)9-18-8-10-2-1-3-13(17)6-10/h1-7,18H,8-9,17H2
InChIKeyDEBKAKFGIQYUJY-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 79979738
3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline
CID 115211996
N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361
3-[(2,5-difluorophenyl)methyl]aniline
CID 116925761
1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 9115190
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43658821
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720
1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968
3-[[2-(3,4-difluorophenyl)ethylamino]methyl]aniline
CID 115211983
2-[4-[[(3-fluorophenyl)methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine
CID 23286918

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline?
The IUPAC name of 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline (CID 115211908) is 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline.
What is the SMILES notation for 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline?
The canonical SMILES for 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline is Nc1cccc(CNCc2ccc(F)cc2F)c1.
What is the InChIKey of 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline?
The InChIKey is DEBKAKFGIQYUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-12-5-4-11(14(16)7-12)9-18-8-10-2-1-3-13(17)6-10/h1-7,18H,8-9,17H2.
What are the key properties of 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline?
3-[[(2,4-difluorophenyl)methylamino]methyl]aniline has a molecular weight of 248.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,4-difluorophenyl)methylamino]methyl]aniline is sourced from PubChem (CID 115211908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).