[4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde

C16H17F3N2O2 — CID 175602654

IUPAC[4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde
SMILESNCc1ccc(CN)cc1.O=Cc1cccc(C(F)(F)F)c1O
InChIInChI=1S/C8H5F3O2.C8H12N2/c9-8(10,11)6-3-1-2-5(4-12)7(6)13;9-5-7-1-2-8(6-10)4-3-7/h1-4,13H;1-4H,5-6,9-10H2
InChIKeyVFXGXUCBWZZYCS-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.83
Rot. Bonds3

About [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde

[4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde (PubChem CID 175602654) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde
PubChem CID175602654
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name[4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde
SMILESNCc1ccc(CN)cc1.O=Cc1cccc(C(F)(F)F)c1O
InChIInChI=1S/C8H5F3O2.C8H12N2/c9-8(10,11)6-3-1-2-5(4-12)7(6)13;9-5-7-1-2-8(6-10)4-3-7/h1-4,13H;1-4H,5-6,9-10H2
InChIKeyVFXGXUCBWZZYCS-UHFFFAOYSA-N
XLogP2.83
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(trifluoromethyl)benzaldehyde
CID 86701174
2-hydroxy-3-tritylbenzaldehyde
CID 18676816
2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 146035323
2,3-dihydroxybenzaldehyde
CID 159243971
2-amino-6-(trifluoromethyl)phenol
CID 22272746
[2-bromo-3-(trifluoromethyl)phenyl]methanamine;formic acid
CID 174979218
2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde
CID 54199632
2-(aminomethyl)-4,5-bis(trifluoromethyl)benzaldehyde
CID 118846578
2-[(1S)-1,2-diaminoethyl]-6-(trifluoromethyl)phenol
CID 66517650
2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
CID 84685306
3-benzyl-2-hydroxybenzaldehyde
CID 22263534
2-hydroxy-3-(trifluoromethyl)benzamide;hydrochloride
CID 141021225

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde (CID 175602654) is [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde is NCc1ccc(CN)cc1.O=Cc1cccc(C(F)(F)F)c1O.
What is the InChIKey of [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde?
The InChIKey is VFXGXUCBWZZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2.C8H12N2/c9-8(10,11)6-3-1-2-5(4-12)7(6)13;9-5-7-1-2-8(6-10)4-3-7/h1-4,13H;1-4H,5-6,9-10H2.
What are the key properties of [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde?
[4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde has a molecular weight of 326.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 175602654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).