1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine

C14H14F3N3O — CID 62990420

IUPAC1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCOc1ccc(CNc2ccc(C(F)(F)F)cc2N)cn1
InChIInChI=1S/C14H14F3N3O/c1-21-13-5-2-9(8-20-13)7-19-12-4-3-10(6-11(12)18)14(15,16)17/h2-6,8,19H,7,18H2,1H3
InChIKeyDDRIIAXVGAKABT-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.30
Rot. Bonds4

About 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine

1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 62990420) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID62990420
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCOc1ccc(CNc2ccc(C(F)(F)F)cc2N)cn1
InChIInChI=1S/C14H14F3N3O/c1-21-13-5-2-9(8-20-13)7-19-12-4-3-10(6-11(12)18)14(15,16)17/h2-6,8,19H,7,18H2,1H3
InChIKeyDDRIIAXVGAKABT-UHFFFAOYSA-N
XLogP3.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine;methylsulfanylmethane
CID 142291989
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544
1-N-[(3-chlorophenyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 62537577
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825

Frequently Asked Questions

What is the IUPAC name of 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine (CID 62990420) is 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine is COc1ccc(CNc2ccc(C(F)(F)F)cc2N)cn1.
What is the InChIKey of 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is DDRIIAXVGAKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-13-5-2-9(8-20-13)7-19-12-4-3-10(6-11(12)18)14(15,16)17/h2-6,8,19H,7,18H2,1H3.
What are the key properties of 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 297.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 62990420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).