1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine

C12H18FNO — CID 79574359

IUPAC1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)Cc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(2)15-8-12(14)7-10-4-3-5-11(13)6-10/h3-6,9,12H,7-8,14H2,1-2H3
InChIKeyLMFJPVLMZPPOPK-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.12
Rot. Bonds5

About 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine

1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine (PubChem CID 79574359) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
PubChem CID79574359
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)Cc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(2)15-8-12(14)7-10-4-3-5-11(13)6-10/h3-6,9,12H,7-8,14H2,1-2H3
InChIKeyLMFJPVLMZPPOPK-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
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1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
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1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
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1-(3-fluorophenyl)-3-methoxybutan-2-amine
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propan-2-yl (2S)-2-amino-3-(3-fluorophenyl)propanoate
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5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637
1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
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1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine (CID 79574359) is 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine is CC(C)OCC(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is LMFJPVLMZPPOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(2)15-8-12(14)7-10-4-3-5-11(13)6-10/h3-6,9,12H,7-8,14H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 79574359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).