4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline

C19H18N2O — CID 170129561

IUPAC4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2)c(OCc2ccccc2)n1
InChIInChI=1S/C19H18N2O/c1-14-7-12-18(16-8-10-17(20)11-9-16)19(21-14)22-13-15-5-3-2-4-6-15/h2-12H,13,20H2,1H3
InChIKeyKITSSMFZFDFOSF-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.22
Rot. Bonds4

About 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline

4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline (PubChem CID 170129561) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline.

Molecular Properties

Compound Name4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline
PubChem CID170129561
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2)c(OCc2ccccc2)n1
InChIInChI=1S/C19H18N2O/c1-14-7-12-18(16-8-10-17(20)11-9-16)19(21-14)22-13-15-5-3-2-4-6-15/h2-12H,13,20H2,1H3
InChIKeyKITSSMFZFDFOSF-UHFFFAOYSA-N
XLogP4.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.22
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-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
2-(4-aminophenyl)-6-phenylmethoxyaniline
CID 68786338
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
CID 175548926
2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
CID 175543369
4-phenylmethoxyaniline
CID 159966727
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 170322517
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
2-[(4-methoxyphenyl)methoxy]-6-methylpyridin-3-amine
CID 81133075
4-(2-methyl-6-phenylmethoxy-3-pyridinyl)phenol
CID 170262262
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027
6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine
CID 140911567

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline?
The IUPAC name of 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline (CID 170129561) is 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline.
What is the SMILES notation for 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline?
The canonical SMILES for 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline is Cc1ccc(-c2ccc(N)cc2)c(OCc2ccccc2)n1.
What is the InChIKey of 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline?
The InChIKey is KITSSMFZFDFOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-7-12-18(16-8-10-17(20)11-9-16)19(21-14)22-13-15-5-3-2-4-6-15/h2-12H,13,20H2,1H3.
What are the key properties of 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline?
4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline has a molecular weight of 290.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline is sourced from PubChem (CID 170129561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).