2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol

C14H14Cl2N2O — CID 43202255

IUPAC2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
SMILESCC(NCc1cc(Cl)cc(Cl)c1O)c1ccncc1
InChIInChI=1S/C14H14Cl2N2O/c1-9(10-2-4-17-5-3-10)18-8-11-6-12(15)7-13(16)14(11)19/h2-7,9,18-19H,8H2,1H3
InChIKeyKZGQRUWERXCNBU-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.94
Rot. Bonds4

About 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol

2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol (PubChem CID 43202255) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
PubChem CID43202255
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
SMILESCC(NCc1cc(Cl)cc(Cl)c1O)c1ccncc1
InChIInChI=1S/C14H14Cl2N2O/c1-9(10-2-4-17-5-3-10)18-8-11-6-12(15)7-13(16)14(11)19/h2-7,9,18-19H,8H2,1H3
InChIKeyKZGQRUWERXCNBU-UHFFFAOYSA-N
XLogP3.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.94
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-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-4,6-dichlorophenol
CID 81359211
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367252
2,4-dichloro-6-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
CID 103854969
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730940
(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 106862995
2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 81380179
3-chloro-N'-hydroxy-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzenecarboximidamide
CID 102667374
2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol
CID 61192165
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol (CID 43202255) is 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol is CC(NCc1cc(Cl)cc(Cl)c1O)c1ccncc1.
What is the InChIKey of 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol?
The InChIKey is KZGQRUWERXCNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9(10-2-4-17-5-3-10)18-8-11-6-12(15)7-13(16)14(11)19/h2-7,9,18-19H,8H2,1H3.
What are the key properties of 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol?
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol has a molecular weight of 297.19 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol is sourced from PubChem (CID 43202255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).