N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine

C18H28N2O2 — CID 39433302

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESc1ccc(OC2CCCC2)c(CNCCN2CCOCC2)c1
InChIInChI=1S/C18H28N2O2/c1-4-8-18(22-17-6-2-3-7-17)16(5-1)15-19-9-10-20-11-13-21-14-12-20/h1,4-5,8,17,19H,2-3,6-7,9-15H2
InChIKeyGFCSNVVWWMZBGE-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.43
Rot. Bonds7

About N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine

N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 39433302) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID39433302
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESc1ccc(OC2CCCC2)c(CNCCN2CCOCC2)c1
InChIInChI=1S/C18H28N2O2/c1-4-8-18(22-17-6-2-3-7-17)16(5-1)15-19-9-10-20-11-13-21-14-12-20/h1,4-5,8,17,19H,2-3,6-7,9-15H2
InChIKeyGFCSNVVWWMZBGE-UHFFFAOYSA-N
XLogP2.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.43
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

2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine
CID 25114669
1-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375203
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471431
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 51122736
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2978951
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine (CID 39433302) is N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine is c1ccc(OC2CCCC2)c(CNCCN2CCOCC2)c1.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is GFCSNVVWWMZBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-8-18(22-17-6-2-3-7-17)16(5-1)15-19-9-10-20-11-13-21-14-12-20/h1,4-5,8,17,19H,2-3,6-7,9-15H2.
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 304.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 39433302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).