3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine

C24H23ClN4O2 — CID 161313048

IUPAC3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
SMILESNc1ncccc1OCc1ccccc1.Nc1ncccc1OCc1ccccc1Cl
InChIInChI=1S/C12H11ClN2O.C12H12N2O/c13-10-5-2-1-4-9(10)8-16-11-6-3-7-15-12(11)14;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-7H,8H2,(H2,14,15);1-8H,9H2,(H2,13,14)
InChIKeyVJDJFFAFGVINGH-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.14
Rot. Bonds6

About 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine

3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine (PubChem CID 161313048) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
PubChem CID161313048
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
SMILESNc1ncccc1OCc1ccccc1.Nc1ncccc1OCc1ccccc1Cl
InChIInChI=1S/C12H11ClN2O.C12H12N2O/c13-10-5-2-1-4-9(10)8-16-11-6-3-7-15-12(11)14;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-7H,8H2,(H2,14,15);1-8H,9H2,(H2,13,14)
InChIKeyVJDJFFAFGVINGH-UHFFFAOYSA-N
XLogP5.14
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161236656
3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 162141376
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943
2-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469613
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
3-(thiophen-3-ylmethoxy)pyridin-2-amine
CID 43646070
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
2-[(2-chlorophenyl)methoxy]-6-methylaniline
CID 43438077
3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine
CID 43125741
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
CID 10331655

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine (CID 161313048) is 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine is Nc1ncccc1OCc1ccccc1.Nc1ncccc1OCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
The InChIKey is VJDJFFAFGVINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O.C12H12N2O/c13-10-5-2-1-4-9(10)8-16-11-6-3-7-15-12(11)14;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-7H,8H2,(H2,14,15);1-8H,9H2,(H2,13,14).
What are the key properties of 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine has a molecular weight of 434.93 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 161313048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).