3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol

C15H16ClNO2 — CID 78959797

IUPAC3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
SMILESCOc1ccccc1CNCc1c(O)cccc1Cl
InChIInChI=1S/C15H16ClNO2/c1-19-15-8-3-2-5-11(15)9-17-10-12-13(16)6-4-7-14(12)18/h2-8,17-18H,9-10H2,1H3
InChIKeyKTVHFKXVNHGGHD-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.34
Rot. Bonds5

About 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol

3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol (PubChem CID 78959797) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
PubChem CID78959797
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
SMILESCOc1ccccc1CNCc1c(O)cccc1Cl
InChIInChI=1S/C15H16ClNO2/c1-19-15-8-3-2-5-11(15)9-17-10-12-13(16)6-4-7-14(12)18/h2-8,17-18H,9-10H2,1H3
InChIKeyKTVHFKXVNHGGHD-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 103292073
2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
CID 103292059
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol
CID 78960259
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
CID 103291932
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol (CID 78959797) is 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol is COc1ccccc1CNCc1c(O)cccc1Cl.
What is the InChIKey of 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol?
The InChIKey is KTVHFKXVNHGGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-19-15-8-3-2-5-11(15)9-17-10-12-13(16)6-4-7-14(12)18/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol?
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol has a molecular weight of 277.75 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 78959797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).