(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol

C10H13Cl2NO — CID 93082944

IUPAC(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-7(6-14)13-5-8-2-3-9(11)4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyQSTWNLNVLGCYEI-SSDOTTSWSA-N
MW234.13 g/mol
LogP2.46
Rot. Bonds4

About (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol

(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol (PubChem CID 93082944) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
PubChem CID93082944
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-7(6-14)13-5-8-2-3-9(11)4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyQSTWNLNVLGCYEI-SSDOTTSWSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
1-[(2,4-dichlorophenyl)methylamino]ethanethiol
CID 143498139
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
2-[(4-chloro-2-methylphenyl)methylamino]propane-1,3-diol
CID 104854266
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768975
(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
CID 103854651
2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
CID 107961535
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol (CID 93082944) is (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol is C[C@H](CO)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol?
The InChIKey is QSTWNLNVLGCYEI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-7(6-14)13-5-8-2-3-9(11)4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol?
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol has a molecular weight of 234.13 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 93082944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).