N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride

C20H29ClN2O2 — CID 56603483

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
SMILESCCOc1ccc2ccccc2c1CNCCCN1CCOCC1.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-2-24-20-9-8-17-6-3-4-7-18(17)19(20)16-21-10-5-11-22-12-14-23-15-13-22;/h3-4,6-9,21H,2,5,10-16H2,1H3;1H
InChIKeyPKYKFLALROFCMN-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.47
Rot. Bonds8

About N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride

N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride (PubChem CID 56603483) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
PubChem CID56603483
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
SMILESCCOc1ccc2ccccc2c1CNCCCN1CCOCC1.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-2-24-20-9-8-17-6-3-4-7-18(17)19(20)16-21-10-5-11-22-12-14-23-15-13-22;/h3-4,6-9,21H,2,5,10-16H2,1H3;1H
InChIKeyPKYKFLALROFCMN-UHFFFAOYSA-N
XLogP3.47
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride (CID 56603483) is N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride is CCOc1ccc2ccccc2c1CNCCCN1CCOCC1.Cl.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride?
The InChIKey is PKYKFLALROFCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c1-2-24-20-9-8-17-6-3-4-7-18(17)19(20)16-21-10-5-11-22-12-14-23-15-13-22;/h3-4,6-9,21H,2,5,10-16H2,1H3;1H.
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride?
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 56603483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).