2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol

C15H15Cl2NO — CID 103924012

IUPAC2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@H](NCc1cccc(Cl)c1O)c1ccccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10(12-6-2-3-7-13(12)16)18-9-11-5-4-8-14(17)15(11)19/h2-8,10,18-19H,9H2,1H3/t10-/m0/s1
InChIKeyAGTJOBNTUGREOC-JTQLQIEISA-N
MW296.20 g/mol
LogP4.55
Rot. Bonds4

About 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol

2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol (PubChem CID 103924012) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
PubChem CID103924012
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@H](NCc1cccc(Cl)c1O)c1ccccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10(12-6-2-3-7-13(12)16)18-9-11-5-4-8-14(17)15(11)19/h2-8,10,18-19H,9H2,1H3/t10-/m0/s1
InChIKeyAGTJOBNTUGREOC-JTQLQIEISA-N
XLogP4.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]benzene-1,3-diol
CID 28649171
2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 103940649
(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375155
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103578117
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
2-chloro-6-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 115907627
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine
CID 81374034
N-(1,3-benzodioxol-4-ylmethyl)-1-(2-chlorophenyl)ethanamine
CID 43583627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol (CID 103924012) is 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol is C[C@H](NCc1cccc(Cl)c1O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol?
The InChIKey is AGTJOBNTUGREOC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(12-6-2-3-7-13(12)16)18-9-11-5-4-8-14(17)15(11)19/h2-8,10,18-19H,9H2,1H3/t10-/m0/s1.
What are the key properties of 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol?
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol has a molecular weight of 296.20 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 103924012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).