3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline

C14H16N2O — CID 63690803

IUPAC3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
SMILESCc1cc(N)cc(C)c1OCc1cccnc1
InChIInChI=1S/C14H16N2O/c1-10-6-13(15)7-11(2)14(10)17-9-12-4-3-5-16-8-12/h3-8H,9,15H2,1-2H3
InChIKeyCTSMBWUTJLFDNV-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.86
Rot. Bonds3

About 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline

3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline (PubChem CID 63690803) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
PubChem CID63690803
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
SMILESCc1cc(N)cc(C)c1OCc1cccnc1
InChIInChI=1S/C14H16N2O/c1-10-6-13(15)7-11(2)14(10)17-9-12-4-3-5-16-8-12/h3-8H,9,15H2,1-2H3
InChIKeyCTSMBWUTJLFDNV-UHFFFAOYSA-N
XLogP2.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 16770145
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405816
4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 107741287
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119656225
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline?
The IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline (CID 63690803) is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline.
What is the SMILES notation for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline?
The canonical SMILES for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline is Cc1cc(N)cc(C)c1OCc1cccnc1.
What is the InChIKey of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline?
The InChIKey is CTSMBWUTJLFDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-6-13(15)7-11(2)14(10)17-9-12-4-3-5-16-8-12/h3-8H,9,15H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline?
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline has a molecular weight of 228.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline is sourced from PubChem (CID 63690803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).