2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol

C16H17ClFNO — CID 115908417

IUPAC2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
SMILESCc1cc(F)ccc1CCNCc1cccc(Cl)c1O
InChIInChI=1S/C16H17ClFNO/c1-11-9-14(18)6-5-12(11)7-8-19-10-13-3-2-4-15(17)16(13)20/h2-6,9,19-20H,7-8,10H2,1H3
InChIKeyDNVUBPMWOBPCSH-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.83
Rot. Bonds5

About 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol

2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol (PubChem CID 115908417) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
PubChem CID115908417
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
SMILESCc1cc(F)ccc1CCNCc1cccc(Cl)c1O
InChIInChI=1S/C16H17ClFNO/c1-11-9-14(18)6-5-12(11)7-8-19-10-13-3-2-4-15(17)16(13)20/h2-6,9,19-20H,7-8,10H2,1H3
InChIKeyDNVUBPMWOBPCSH-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol
CID 115905940
2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 107685868
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol
CID 112553733
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 112582510
N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 115526630
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
2-chloro-6-[(pent-3-ynylamino)methyl]phenol
CID 115978358
2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol
CID 112568738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol (CID 115908417) is 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol is Cc1cc(F)ccc1CCNCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol?
The InChIKey is DNVUBPMWOBPCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11-9-14(18)6-5-12(11)7-8-19-10-13-3-2-4-15(17)16(13)20/h2-6,9,19-20H,7-8,10H2,1H3.
What are the key properties of 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol?
2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol has a molecular weight of 293.77 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 115908417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).