1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol

C14H20ClF3N2O — CID 168638288

IUPAC1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NCC(O)CCl
InChIInChI=1S/C14H20ClF3N2O/c1-3-20(4-2)13-6-5-10(14(16,17)18)7-12(13)19-9-11(21)8-15/h5-7,11,19,21H,3-4,8-9H2,1-2H3
InChIKeyNRSGAIQWJSGORL-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.56
Rot. Bonds7

About 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol

1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 168638288) has the molecular formula C14H20ClF3N2O and a molecular weight of 324.77 g/mol. Its IUPAC name is 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol
PubChem CID168638288
Molecular FormulaC14H20ClF3N2O
Molecular Weight324.77 g/mol
Exact Mass324.12
IUPAC Name1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NCC(O)CCl
InChIInChI=1S/C14H20ClF3N2O/c1-3-20(4-2)13-6-5-10(14(16,17)18)7-12(13)19-9-11(21)8-15/h5-7,11,19,21H,3-4,8-9H2,1-2H3
InChIKeyNRSGAIQWJSGORL-UHFFFAOYSA-N
XLogP3.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-chloro-2-hydroxypropyl)amino]-4-(trifluoromethyl)benzoate
CID 168636571
1-chloro-3-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]propan-2-ol
CID 168638004
1-chloro-3-[2-imidazol-1-yl-5-(trifluoromethyl)anilino]propan-2-ol
CID 168637796
methyl 4-[2-[(3-chloro-2-hydroxypropyl)amino]-4-(trifluoromethyl)anilino]butanoate
CID 168639762
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
methyl 4-[(3-chloro-2-hydroxypropyl)amino]-3-(diethylamino)benzoate
CID 168637047
1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol
CID 113236994
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 18281244
methyl 3-[2-(2,3-dihydroxypropylamino)-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 168594620
1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 63036846

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol (CID 168638288) is 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol is CCN(CC)c1ccc(C(F)(F)F)cc1NCC(O)CCl.
What is the InChIKey of 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is NRSGAIQWJSGORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N2O/c1-3-20(4-2)13-6-5-10(14(16,17)18)7-12(13)19-9-11(21)8-15/h5-7,11,19,21H,3-4,8-9H2,1-2H3.
What are the key properties of 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol?
1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 324.77 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(diethylamino)-5-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 168638288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).