(2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine

C11H16FNO — CID 872123

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](C)NCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyNDIIJKZDNPQYTK-VIFPVBQESA-N
MW197.25 g/mol
LogP1.95
Rot. Bonds5

About (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine

(2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 872123) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine
PubChem CID872123
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](C)NCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyNDIIJKZDNPQYTK-VIFPVBQESA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine (CID 872123) is (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine is COC[C@H](C)NCc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is NDIIJKZDNPQYTK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16FNO/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine?
(2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 872123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).