1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine

C33H38FN3O — CID 175567995

IUPAC1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine
SMILESCc1ccccc1N1CCN(CCCC(N)Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)CC1
InChIInChI=1S/C33H38FN3O/c1-25-7-2-5-11-32(25)37-21-19-36(20-22-37)18-6-9-29(35)23-31-30-10-4-3-8-27(30)14-17-33(31)38-24-26-12-15-28(34)16-13-26/h2-5,7-8,10-17,29H,6,9,18-24,35H2,1H3
InChIKeyGRYRSELAVJNFPV-UHFFFAOYSA-N
MW511.69 g/mol
LogP6.34
Rot. Bonds10

About 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine

1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine (PubChem CID 175567995) has the molecular formula C33H38FN3O and a molecular weight of 511.69 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine
PubChem CID175567995
Molecular FormulaC33H38FN3O
Molecular Weight511.69 g/mol
Exact Mass511.30
IUPAC Name1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine
SMILESCc1ccccc1N1CCN(CCCC(N)Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)CC1
InChIInChI=1S/C33H38FN3O/c1-25-7-2-5-11-32(25)37-21-19-36(20-22-37)18-6-9-29(35)23-31-30-10-4-3-8-27(30)14-17-33(31)38-24-26-12-15-28(34)16-13-26/h2-5,7-8,10-17,29H,6,9,18-24,35H2,1H3
InChIKeyGRYRSELAVJNFPV-UHFFFAOYSA-N
XLogP6.34
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.69
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine (CID 175567995) is 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine is Cc1ccccc1N1CCN(CCCC(N)Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)CC1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine?
The InChIKey is GRYRSELAVJNFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38FN3O/c1-25-7-2-5-11-32(25)37-21-19-36(20-22-37)18-6-9-29(35)23-31-30-10-4-3-8-27(30)14-17-33(31)38-24-26-12-15-28(34)16-13-26/h2-5,7-8,10-17,29H,6,9,18-24,35H2,1H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine?
1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine has a molecular weight of 511.69 g/mol, XLogP of 6.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-amine is sourced from PubChem (CID 175567995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).