3-(aminomethyl)-4-(2-methylphenoxy)aniline

C14H16N2O — CID 174383964

IUPAC3-(aminomethyl)-4-(2-methylphenoxy)aniline
SMILESCc1ccccc1Oc1ccc(N)cc1CN
InChIInChI=1S/C14H16N2O/c1-10-4-2-3-5-13(10)17-14-7-6-12(16)8-11(14)9-15/h2-8H,9,15-16H2,1H3
InChIKeyUWAZKFPNRUCHQX-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.83
Rot. Bonds3

About 3-(aminomethyl)-4-(2-methylphenoxy)aniline

3-(aminomethyl)-4-(2-methylphenoxy)aniline (PubChem CID 174383964) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2-methylphenoxy)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2-methylphenoxy)aniline
PubChem CID174383964
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(aminomethyl)-4-(2-methylphenoxy)aniline
SMILESCc1ccccc1Oc1ccc(N)cc1CN
InChIInChI=1S/C14H16N2O/c1-10-4-2-3-5-13(10)17-14-7-6-12(16)8-11(14)9-15/h2-8H,9,15-16H2,1H3
InChIKeyUWAZKFPNRUCHQX-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

3-(aminomethyl)-4-(2-fluorophenoxy)aniline
CID 174383451
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
CID 107926570
[2-(2-methylphenoxy)quinolin-4-yl]methanamine
CID 62296104
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
[2,6-dimethyl-4-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 81050871
[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine
CID 81250207

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2-methylphenoxy)aniline?
The IUPAC name of 3-(aminomethyl)-4-(2-methylphenoxy)aniline (CID 174383964) is 3-(aminomethyl)-4-(2-methylphenoxy)aniline.
What is the SMILES notation for 3-(aminomethyl)-4-(2-methylphenoxy)aniline?
The canonical SMILES for 3-(aminomethyl)-4-(2-methylphenoxy)aniline is Cc1ccccc1Oc1ccc(N)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-(2-methylphenoxy)aniline?
The InChIKey is UWAZKFPNRUCHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-2-3-5-13(10)17-14-7-6-12(16)8-11(14)9-15/h2-8H,9,15-16H2,1H3.
What are the key properties of 3-(aminomethyl)-4-(2-methylphenoxy)aniline?
3-(aminomethyl)-4-(2-methylphenoxy)aniline has a molecular weight of 228.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2-methylphenoxy)aniline is sourced from PubChem (CID 174383964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).