2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol

C15H18ClN3O2 — CID 115951113

IUPAC2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol
SMILESCOc1nccc(N(C)C)c1NCc1cccc(Cl)c1O
InChIInChI=1S/C15H18ClN3O2/c1-19(2)12-7-8-17-15(21-3)13(12)18-9-10-5-4-6-11(16)14(10)20/h4-8,18,20H,9H2,1-3H3
InChIKeyUNAMFOUMUJUXPB-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.13
Rot. Bonds5

About 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol

2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol (PubChem CID 115951113) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol
PubChem CID115951113
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol
SMILESCOc1nccc(N(C)C)c1NCc1cccc(Cl)c1O
InChIInChI=1S/C15H18ClN3O2/c1-19(2)12-7-8-17-15(21-3)13(12)18-9-10-5-4-6-11(16)14(10)20/h4-8,18,20H,9H2,1-3H3
InChIKeyUNAMFOUMUJUXPB-UHFFFAOYSA-N
XLogP3.13
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678976
2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 112606445
2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine
CID 43679012
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338
4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile
CID 43678951
2-methoxy-4-N,4-N-dimethyl-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 43678884
3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 102831966
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-chlorophenol
CID 115951587
3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol
CID 65337596
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol (CID 115951113) is 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol is COc1nccc(N(C)C)c1NCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol?
The InChIKey is UNAMFOUMUJUXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-19(2)12-7-8-17-15(21-3)13(12)18-9-10-5-4-6-11(16)14(10)20/h4-8,18,20H,9H2,1-3H3.
What are the key properties of 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol?
2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol has a molecular weight of 307.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 115951113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).