4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol

C15H16ClNO2 — CID 82978276

IUPAC4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1ccccc1N(C)Cc1cc(Cl)ccc1O
InChIInChI=1S/C15H16ClNO2/c1-17(13-5-3-4-6-15(13)19-2)10-11-9-12(16)7-8-14(11)18/h3-9,18H,10H2,1-2H3
InChIKeyKEDZDJYMYNZSPF-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.69
Rot. Bonds4

About 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol

4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol (PubChem CID 82978276) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
PubChem CID82978276
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1ccccc1N(C)Cc1cc(Cl)ccc1O
InChIInChI=1S/C15H16ClNO2/c1-17(13-5-3-4-6-15(13)19-2)10-11-9-12(16)7-8-14(11)18/h3-9,18H,10H2,1-2H3
InChIKeyKEDZDJYMYNZSPF-UHFFFAOYSA-N
XLogP3.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
5-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 62493688
4-chloro-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978606
5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
CID 114846581
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180
4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
CID 107907694
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-6-fluorobenzonitrile
CID 55432021
6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one
CID 156870507
2-[[amino(methyl)amino]methyl]-4-chlorophenol
CID 130033260
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327
4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol
CID 46840087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol (CID 82978276) is 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol is COc1ccccc1N(C)Cc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol?
The InChIKey is KEDZDJYMYNZSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-17(13-5-3-4-6-15(13)19-2)10-11-9-12(16)7-8-14(11)18/h3-9,18H,10H2,1-2H3.
What are the key properties of 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol?
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol has a molecular weight of 277.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol is sourced from PubChem (CID 82978276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).