(3S,4S)-3-fluoro-4-phenylpentan-1-amine

C11H16FN — CID 102430621

IUPAC(3S,4S)-3-fluoro-4-phenylpentan-1-amine
SMILESC[C@@H](c1ccccc1)[C@@H](F)CCN
InChIInChI=1S/C11H16FN/c1-9(11(12)7-8-13)10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3/t9-,11-/m0/s1
InChIKeyRCQLZGDEUGJIPJ-ONGXEEELSA-N
MW181.25 g/mol
LogP2.48
Rot. Bonds4

About (3S,4S)-3-fluoro-4-phenylpentan-1-amine

(3S,4S)-3-fluoro-4-phenylpentan-1-amine (PubChem CID 102430621) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-phenylpentan-1-amine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-phenylpentan-1-amine
PubChem CID102430621
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(3S,4S)-3-fluoro-4-phenylpentan-1-amine
SMILESC[C@@H](c1ccccc1)[C@@H](F)CCN
InChIInChI=1S/C11H16FN/c1-9(11(12)7-8-13)10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3/t9-,11-/m0/s1
InChIKeyRCQLZGDEUGJIPJ-ONGXEEELSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-phenylbutan-1-amine
CID 126843894
4,4-difluoro-3-phenylbutan-1-amine
CID 115016853
3-fluorobutan-2-ylbenzene
CID 159211068
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
4-(4-ethylphenyl)-3-phenylpentan-1-amine
CID 57150711
1,1-diphenylpropan-2-ylbenzene
CID 3664636
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
3,3-diphenylpropan-1-amine;hydron;chloride
CID 74764483
(1S)-1-amino-2-phenylpropan-1-ol
CID 130442875
3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
CID 82140241
2-phenylbutane-1,4-diamine
CID 16770348
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-phenylpentan-1-amine?
The IUPAC name of (3S,4S)-3-fluoro-4-phenylpentan-1-amine (CID 102430621) is (3S,4S)-3-fluoro-4-phenylpentan-1-amine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-phenylpentan-1-amine?
The canonical SMILES for (3S,4S)-3-fluoro-4-phenylpentan-1-amine is C[C@@H](c1ccccc1)[C@@H](F)CCN.
What is the InChIKey of (3S,4S)-3-fluoro-4-phenylpentan-1-amine?
The InChIKey is RCQLZGDEUGJIPJ-ONGXEEELSA-N. The full InChI is InChI=1S/C11H16FN/c1-9(11(12)7-8-13)10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3/t9-,11-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-phenylpentan-1-amine?
(3S,4S)-3-fluoro-4-phenylpentan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-phenylpentan-1-amine is sourced from PubChem (CID 102430621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).