(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine

C12H18FNO — CID 171231545

IUPAC(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccccc1[C@@H](N)CCF
InChIInChI=1S/C12H18FNO/c1-9(2)15-12-6-4-3-5-10(12)11(14)7-8-13/h3-6,9,11H,7-8,14H2,1-2H3/t11-/m0/s1
InChIKeyVUEYNURMIJBKJX-NSHDSACASA-N
MW211.28 g/mol
LogP2.83
Rot. Bonds5

About (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine

(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 171231545) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
PubChem CID171231545
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccccc1[C@@H](N)CCF
InChIInChI=1S/C12H18FNO/c1-9(2)15-12-6-4-3-5-10(12)11(14)7-8-13/h3-6,9,11H,7-8,14H2,1-2H3/t11-/m0/s1
InChIKeyVUEYNURMIJBKJX-NSHDSACASA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 114211571
3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105170945
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977

Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine (CID 171231545) is (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine is CC(C)Oc1ccccc1[C@@H](N)CCF.
What is the InChIKey of (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is VUEYNURMIJBKJX-NSHDSACASA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(2)15-12-6-4-3-5-10(12)11(14)7-8-13/h3-6,9,11H,7-8,14H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine?
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 171231545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).