(2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine

C18H22FN — CID 10199344

IUPAC(2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine
SMILESCC(C)C[C@H](N)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-14(2)13-17(20)18(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,20H2,1-2H3/t17-/m0/s1
InChIKeyPDTGGQHFGXMDGP-KRWDZBQOSA-N
MW271.38 g/mol
LogP4.27
Rot. Bonds5

About (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine

(2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine (PubChem CID 10199344) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine
PubChem CID10199344
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name(2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine
SMILESCC(C)C[C@H](N)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-14(2)13-17(20)18(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,20H2,1-2H3/t17-/m0/s1
InChIKeyPDTGGQHFGXMDGP-KRWDZBQOSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine?
The IUPAC name of (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine (CID 10199344) is (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine?
The canonical SMILES for (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine is CC(C)C[C@H](N)C(F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine?
The InChIKey is PDTGGQHFGXMDGP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22FN/c1-14(2)13-17(20)18(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,20H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine?
(2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-4-methyl-1,1-diphenylpentan-2-amine is sourced from PubChem (CID 10199344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).