4-[amino-(3-methoxyphenyl)methyl]aniline

C14H16N2O — CID 116936827

IUPAC4-[amino-(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(C(N)c2ccc(N)cc2)c1
InChIInChI=1S/C14H16N2O/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14H,15-16H2,1H3
InChIKeyKTSYFMRQPDRGLJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.33
Rot. Bonds3

About 4-[amino-(3-methoxyphenyl)methyl]aniline

4-[amino-(3-methoxyphenyl)methyl]aniline (PubChem CID 116936827) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[amino-(3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[amino-(3-methoxyphenyl)methyl]aniline
PubChem CID116936827
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-[amino-(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(C(N)c2ccc(N)cc2)c1
InChIInChI=1S/C14H16N2O/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14H,15-16H2,1H3
InChIKeyKTSYFMRQPDRGLJ-UHFFFAOYSA-N
XLogP2.33
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
hydrazinyl-(3-methoxyphenyl)methanamine
CID 116947521
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(3-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-[amino-(3-methoxyphenyl)methyl]aniline (CID 116936827) is 4-[amino-(3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-[amino-(3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-[amino-(3-methoxyphenyl)methyl]aniline is COc1cccc(C(N)c2ccc(N)cc2)c1.
What is the InChIKey of 4-[amino-(3-methoxyphenyl)methyl]aniline?
The InChIKey is KTSYFMRQPDRGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14H,15-16H2,1H3.
What are the key properties of 4-[amino-(3-methoxyphenyl)methyl]aniline?
4-[amino-(3-methoxyphenyl)methyl]aniline has a molecular weight of 228.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 116936827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).