methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate

C19H22FNO2 — CID 23067137

IUPACmethyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate
SMILESCOC(=O)CC(CCc1ccccc1F)NCc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-23-19(22)13-17(21-14-15-7-3-2-4-8-15)12-11-16-9-5-6-10-18(16)20/h2-10,17,21H,11-14H2,1H3
InChIKeyPCMJTGNDDRSSIP-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.48
Rot. Bonds8

About methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate

methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate (PubChem CID 23067137) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate.

Molecular Properties

Compound Namemethyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate
PubChem CID23067137
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Namemethyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate
SMILESCOC(=O)CC(CCc1ccccc1F)NCc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-23-19(22)13-17(21-14-15-7-3-2-4-8-15)12-11-16-9-5-6-10-18(16)20/h2-10,17,21H,11-14H2,1H3
InChIKeyPCMJTGNDDRSSIP-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate?
The IUPAC name of methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate (CID 23067137) is methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate.
What is the SMILES notation for methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate?
The canonical SMILES for methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate is COC(=O)CC(CCc1ccccc1F)NCc1ccccc1.
What is the InChIKey of methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate?
The InChIKey is PCMJTGNDDRSSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-23-19(22)13-17(21-14-15-7-3-2-4-8-15)12-11-16-9-5-6-10-18(16)20/h2-10,17,21H,11-14H2,1H3.
What are the key properties of methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate?
methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate has a molecular weight of 315.39 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylamino)-5-(2-fluorophenyl)pentanoate is sourced from PubChem (CID 23067137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).