(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine

C11H16FNO — CID 96818001

IUPAC(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
SMILESCC(C)[C@@H](N)COc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11H,7,13H2,1-2H3/t11-/m0/s1
InChIKeyDYZTXNQERNWDGQ-NSHDSACASA-N
MW197.25 g/mol
LogP2.19
Rot. Bonds4

About (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine

(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine (PubChem CID 96818001) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
PubChem CID96818001
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
SMILESCC(C)[C@@H](N)COc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11H,7,13H2,1-2H3/t11-/m0/s1
InChIKeyDYZTXNQERNWDGQ-NSHDSACASA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
CID 86262545
(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262544
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027726
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
3-[(4-fluorophenoxy)methyl]-4-methylpentanoic acid
CID 112508529
1-(4-fluorophenoxy)ethanamine
CID 68874100

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine?
The IUPAC name of (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine (CID 96818001) is (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine?
The canonical SMILES for (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine is CC(C)[C@@H](N)COc1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine?
The InChIKey is DYZTXNQERNWDGQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11H,7,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine?
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine is sourced from PubChem (CID 96818001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).