(2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol

C12H17ClFNO — CID 104705415

IUPAC(2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol
SMILESCCC(N[C@H](C)CO)c1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO/c1-3-11(15-8(2)7-16)9-5-4-6-10(13)12(9)14/h4-6,8,11,15-16H,3,7H2,1-2H3/t8-,11?/m1/s1
InChIKeyOSFACSNLGUTYCU-RZZZFEHKSA-N
MW245.72 g/mol
LogP2.90
Rot. Bonds5

About (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol

(2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol (PubChem CID 104705415) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol
PubChem CID104705415
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name(2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol
SMILESCCC(N[C@H](C)CO)c1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO/c1-3-11(15-8(2)7-16)9-5-4-6-10(13)12(9)14/h4-6,8,11,15-16H,3,7H2,1-2H3/t8-,11?/m1/s1
InChIKeyOSFACSNLGUTYCU-RZZZFEHKSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(((2-Chlorophenyl)methyl)amino)-1,1,1-trifluoro-2-propanol
CID 3820409
1,1'-[(3-Chlorobenzyl)imino]di(2-propanol)
CID 2845811
1-Propanol, 2-(3,4-dichlorobenzylamino)-2-methyl-
CID 99360
2-(4-Chloro-benzylamino)-ethanol
CID 424452
Etolorex
CID 208943
1-[4-[[(3-Chlorophenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53562896
2-[4-[[1-(3-Chlorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53572032
2-[4-[[1-(4-Chlorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53572033
2-[4-[[1-(3-Chloro-4-fluorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53607141
3-(((4-Chlorophenyl)methyl)amino)-1,1,1-trifluoro-2-propanol
CID 3812359
2-[[(3,4-Dichlorophenyl)methyl]amino]ethanol
CID 260525
Cambridge id 5425968
CID 782960

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol?
The IUPAC name of (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol (CID 104705415) is (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol is CCC(N[C@H](C)CO)c1cccc(Cl)c1F.
What is the InChIKey of (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol?
The InChIKey is OSFACSNLGUTYCU-RZZZFEHKSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-3-11(15-8(2)7-16)9-5-4-6-10(13)12(9)14/h4-6,8,11,15-16H,3,7H2,1-2H3/t8-,11?/m1/s1.
What are the key properties of (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol?
(2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol has a molecular weight of 245.72 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-chloro-2-fluorophenyl)propylamino]propan-1-ol is sourced from PubChem (CID 104705415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).