3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol

C19H23ClFNO — CID 59570769

IUPAC3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol
SMILESCC(C)N(CCC(O)c1cc(F)cc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C19H23ClFNO/c1-14(2)22(13-15-6-4-3-5-7-15)9-8-19(23)16-10-17(20)12-18(21)11-16/h3-7,10-12,14,19,23H,8-9,13H2,1-2H3
InChIKeyBBZVZQSXZISQBB-UHFFFAOYSA-N
MW335.85 g/mol
LogP4.81
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol

3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol (PubChem CID 59570769) has the molecular formula C19H23ClFNO and a molecular weight of 335.85 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol
PubChem CID59570769
Molecular FormulaC19H23ClFNO
Molecular Weight335.85 g/mol
Exact Mass335.15
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol
SMILESCC(C)N(CCC(O)c1cc(F)cc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C19H23ClFNO/c1-14(2)22(13-15-6-4-3-5-7-15)9-8-19(23)16-10-17(20)12-18(21)11-16/h3-7,10-12,14,19,23H,8-9,13H2,1-2H3
InChIKeyBBZVZQSXZISQBB-UHFFFAOYSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol (CID 59570769) is 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol is CC(C)N(CCC(O)c1cc(F)cc(Cl)c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol?
The InChIKey is BBZVZQSXZISQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO/c1-14(2)22(13-15-6-4-3-5-7-15)9-8-19(23)16-10-17(20)12-18(21)11-16/h3-7,10-12,14,19,23H,8-9,13H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol?
3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol has a molecular weight of 335.85 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(3-chloro-5-fluorophenyl)propan-1-ol is sourced from PubChem (CID 59570769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).