N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine

C24H33N3O — CID 10785980

IUPACN-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCOc1cccc2c1CCCC2CNCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-28-24-12-6-10-22-20(7-5-11-23(22)24)19-25-13-14-26-15-17-27(18-16-26)21-8-3-2-4-9-21/h2-4,6,8-10,12,20,25H,5,7,11,13-19H2,1H3
InChIKeyLARIVMVEHPBTKT-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.53
Rot. Bonds7

About N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine

N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine (PubChem CID 10785980) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine
PubChem CID10785980
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCOc1cccc2c1CCCC2CNCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-28-24-12-6-10-22-20(7-5-11-23(22)24)19-25-13-14-26-15-17-27(18-16-26)21-8-3-2-4-9-21/h2-4,6,8-10,12,20,25H,5,7,11,13-19H2,1H3
InChIKeyLARIVMVEHPBTKT-UHFFFAOYSA-N
XLogP3.53
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine?
The IUPAC name of N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine (CID 10785980) is N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine is COc1cccc2c1CCCC2CNCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine?
The InChIKey is LARIVMVEHPBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-28-24-12-6-10-22-20(7-5-11-23(22)24)19-25-13-14-26-15-17-27(18-16-26)21-8-3-2-4-9-21/h2-4,6,8-10,12,20,25H,5,7,11,13-19H2,1H3.
What are the key properties of N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine?
N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine has a molecular weight of 379.55 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 10785980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).