2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol

C16H17Cl2NO — CID 63260434

IUPAC2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-7-4-8-16(18)14(15)10-19-13(11-20)9-12-5-2-1-3-6-12/h1-8,13,19-20H,9-11H2
InChIKeyZULZDOXXULJAGF-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.69
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol

2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 63260434) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID63260434
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-7-4-8-16(18)14(15)10-19-13(11-20)9-12-5-2-1-3-6-12/h1-8,13,19-20H,9-11H2
InChIKeyZULZDOXXULJAGF-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
CID 107860780
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
2-chloro-6-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]phenol
CID 115907196
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 63260764
2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 103793106
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol
CID 107860721
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 102610247

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol (CID 63260434) is 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol is OCC(Cc1ccccc1)NCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is ZULZDOXXULJAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c17-15-7-4-8-16(18)14(15)10-19-13(11-20)9-12-5-2-1-3-6-12/h1-8,13,19-20H,9-11H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol?
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 310.22 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63260434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).