(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol

C12H17ClFNO — CID 99636952

IUPAC(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
SMILESCC[C@H](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-KCJUWKMLSA-N
MW245.72 g/mol
LogP2.90
Rot. Bonds5

About (2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol

(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol (PubChem CID 99636952) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
PubChem CID99636952
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
SMILESCC[C@H](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-KCJUWKMLSA-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

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CID 104705480
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(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
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2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
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(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
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2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
1-(3-chloro-2-fluorophenyl)-N-prop-2-ynylpropan-1-amine
CID 104705410
2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488475
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488490

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol (CID 99636952) is (2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol is CC[C@H](N[C@H](C)CO)c1cccc(Cl)c1F.
What is the InChIKey of (2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol?
The InChIKey is OSFACSNLGUTYCU-KCJUWKMLSA-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-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol?
(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]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-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol is sourced from PubChem (CID 99636952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).