(2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol

C20H25F2NO — CID 59084959

IUPAC(2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C[C@H](CO)N(Cc1cccc(F)c1)Cc1cccc(F)c1
InChIInChI=1S/C20H25F2NO/c1-15(2)9-20(14-24)23(12-16-5-3-7-18(21)10-16)13-17-6-4-8-19(22)11-17/h3-8,10-11,15,20,24H,9,12-14H2,1-2H3/t20-/m1/s1
InChIKeyMBEXCXAOMPTWDZ-HXUWFJFHSA-N
MW333.42 g/mol
LogP4.37
Rot. Bonds8

About (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol

(2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol (PubChem CID 59084959) has the molecular formula C20H25F2NO and a molecular weight of 333.42 g/mol. Its IUPAC name is (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol
PubChem CID59084959
Molecular FormulaC20H25F2NO
Molecular Weight333.42 g/mol
Exact Mass333.19
IUPAC Name(2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C[C@H](CO)N(Cc1cccc(F)c1)Cc1cccc(F)c1
InChIInChI=1S/C20H25F2NO/c1-15(2)9-20(14-24)23(12-16-5-3-7-18(21)10-16)13-17-6-4-8-19(22)11-17/h3-8,10-11,15,20,24H,9,12-14H2,1-2H3/t20-/m1/s1
InChIKeyMBEXCXAOMPTWDZ-HXUWFJFHSA-N
XLogP4.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol?
The IUPAC name of (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol (CID 59084959) is (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol is CC(C)C[C@H](CO)N(Cc1cccc(F)c1)Cc1cccc(F)c1.
What is the InChIKey of (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol?
The InChIKey is MBEXCXAOMPTWDZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25F2NO/c1-15(2)9-20(14-24)23(12-16-5-3-7-18(21)10-16)13-17-6-4-8-19(22)11-17/h3-8,10-11,15,20,24H,9,12-14H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol?
(2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol has a molecular weight of 333.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 59084959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).