(2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine

C31H32FNO — CID 155930480

IUPAC(2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine
SMILESC[C@](CF)(CN(Cc1ccccc1)C(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C31H32FNO/c1-31(24-32,34-23-27-16-8-3-9-17-27)25-33(22-26-14-6-2-7-15-26)30(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30H,22-25H2,1H3/t31-/m0/s1
InChIKeyVXRZKVNTWHDUOH-HKBQPEDESA-N
MW453.60 g/mol
LogP7.22
Rot. Bonds11

About (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine

(2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine (PubChem CID 155930480) has the molecular formula C31H32FNO and a molecular weight of 453.60 g/mol. Its IUPAC name is (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name(2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine
PubChem CID155930480
Molecular FormulaC31H32FNO
Molecular Weight453.60 g/mol
Exact Mass453.25
IUPAC Name(2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine
SMILESC[C@](CF)(CN(Cc1ccccc1)C(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C31H32FNO/c1-31(24-32,34-23-27-16-8-3-9-17-27)25-33(22-26-14-6-2-7-15-26)30(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30H,22-25H2,1H3/t31-/m0/s1
InChIKeyVXRZKVNTWHDUOH-HKBQPEDESA-N
XLogP7.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.60
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difeterol
CID 208836
1-Benzhydryl-4-ethoxy-4-phenylpiperidine
CID 10022129
1-Benzhydryl-4-methoxy-4-phenylpiperidine
CID 10043898
1-Benzhydryl-4-phenyl-4-propoxypiperidine
CID 10317947
1-Benzhydryl-4-(benzyloxy)-4-phenylpiperidine
CID 10388166
1-(2-Benzylprop-2-en-1-yl)-4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazine
CID 24825330
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-1-fluoro-3-phenylpropan-2-yl]piperazine
CID 24825335
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2R)-1-fluoro-3-phenylpropan-2-yl]piperazine
CID 24825336
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-piperidine
CID 44316307
2-Morpholino-1,1,2-triphenylethanol
CID 46885513
(2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piperidin-4-yl]-amine
CID 10003490
4-(2-Benzhydryloxy-ethyl)-1-(3,4-difluoro-benzyl)-piperidine
CID 10112930

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine?
The IUPAC name of (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine (CID 155930480) is (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine.
What is the SMILES notation for (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine?
The canonical SMILES for (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine is C[C@](CF)(CN(Cc1ccccc1)C(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine?
The InChIKey is VXRZKVNTWHDUOH-HKBQPEDESA-N. The full InChI is InChI=1S/C31H32FNO/c1-31(24-32,34-23-27-16-8-3-9-17-27)25-33(22-26-14-6-2-7-15-26)30(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30H,22-25H2,1H3/t31-/m0/s1.
What are the key properties of (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine?
(2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine has a molecular weight of 453.60 g/mol, XLogP of 7.22, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine is sourced from PubChem (CID 155930480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).