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

C20H26FNO — CID 59084819

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine
SMILESCC(C)C[C@@H](COCc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C20H26FNO/c1-16(2)12-20(15-23-14-18-6-4-3-5-7-18)22-13-17-8-10-19(21)11-9-17/h3-11,16,20,22H,12-15H2,1-2H3/t20-/m0/s1
InChIKeyFXMWUPBWZNSASS-FQEVSTJZSA-N
MW315.43 g/mol
LogP4.55
Rot. Bonds9

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

(2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine (PubChem CID 59084819) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine
PubChem CID59084819
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine
SMILESCC(C)C[C@@H](COCc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C20H26FNO/c1-16(2)12-20(15-23-14-18-6-4-3-5-7-18)22-13-17-8-10-19(21)11-9-17/h3-11,16,20,22H,12-15H2,1-2H3/t20-/m0/s1
InChIKeyFXMWUPBWZNSASS-FQEVSTJZSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 54.55
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]-4-methyl-1-phenylmethoxypentan-2-amine?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine (CID 59084819) is (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine is CC(C)C[C@@H](COCc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine?
The InChIKey is FXMWUPBWZNSASS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26FNO/c1-16(2)12-20(15-23-14-18-6-4-3-5-7-18)22-13-17-8-10-19(21)11-9-17/h3-11,16,20,22H,12-15H2,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine?
(2S)-N-[(4-fluorophenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine has a molecular weight of 315.43 g/mol, XLogP of 4.55, 9 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]-4-methyl-1-phenylmethoxypentan-2-amine is sourced from PubChem (CID 59084819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).