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'}

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Related Compounds

8-Methoxy-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 44352179
2-Propanol, 1-benzylamino-3-(naphthyloxy)-
CID 205773
Isoquinoline, 1,2,3,4-tetrahydro-8-(3-methoxyphenyl)-, hydrochloride
CID 3057767
4-Morpholineacetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071637
N-[2-(3H-Benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340632
N-[2-(2,3-Dihydro-1H-benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340633
N-ethyl-3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propan-1-amine
CID 44430359
N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 27271164
1-(2-(benzyloxy)naphthalen-1-yl)-N-methylmethanamine hydrochloride
CID 2964158
2,8-Dioxadodecane, 1,12-bis(6-methoxy-2-naphthalenyl)-, monohydrochloride
CID 393608
4-{2-Methyl-3-[(3-methylphenyl)methoxy]phenyl}piperidine
CID 25263316
(3S,4R)-N-[(6-methoxynaphthalen-2-yl)methyl]-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)piperidin-3-amine
CID 23647857

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).