(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine

C11H15ClFNO — CID 118021269

IUPAC(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OC[C@@H](N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-7(2)15-6-11(14)8-3-4-10(13)9(12)5-8/h3-5,7,11H,6,14H2,1-2H3/t11-/m1/s1
InChIKeyLCTGONLAAKTALS-LLVKDONJSA-N
MW231.70 g/mol
LogP2.90
Rot. Bonds4

About (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine

(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine (PubChem CID 118021269) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
PubChem CID118021269
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OC[C@@H](N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-7(2)15-6-11(14)8-3-4-10(13)9(12)5-8/h3-5,7,11H,6,14H2,1-2H3/t11-/m1/s1
InChIKeyLCTGONLAAKTALS-LLVKDONJSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine
CID 114993091
1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine
CID 116934362
(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
CID 131492690
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
1-(3-chloro-4-fluorophenyl)-2-methylsulfanylethanamine
CID 116830314
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
1-(2,5-dichlorophenyl)-2-propan-2-yloxyethanamine
CID 105013246
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
(1R)-1-(3-chloro-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171201385
2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 130178989
1-(3-chloro-4-fluorophenyl)pent-3-yn-1-amine
CID 63093128

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine?
The IUPAC name of (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine (CID 118021269) is (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine is CC(C)OC[C@@H](N)c1ccc(F)c(Cl)c1.
What is the InChIKey of (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine?
The InChIKey is LCTGONLAAKTALS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(2)15-6-11(14)8-3-4-10(13)9(12)5-8/h3-5,7,11H,6,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine?
(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine has a molecular weight of 231.70 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 118021269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).