N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine

C18H28N2O — CID 114413386

IUPACN-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)N1CC=C(COC)CC1
InChIInChI=1S/C18H28N2O/c1-3-11-19-14-18(17-7-5-4-6-8-17)20-12-9-16(10-13-20)15-21-2/h4-9,18-19H,3,10-15H2,1-2H3
InChIKeyRGKQREVIZRBRPY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.01
Rot. Bonds8

About N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine

N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine (PubChem CID 114413386) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine
PubChem CID114413386
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)N1CC=C(COC)CC1
InChIInChI=1S/C18H28N2O/c1-3-11-19-14-18(17-7-5-4-6-8-17)20-12-9-16(10-13-20)15-21-2/h4-9,18-19H,3,10-15H2,1-2H3
InChIKeyRGKQREVIZRBRPY-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
CID 114413305
N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62930999
N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62427479
N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490718
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 114413418
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114413531
N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-phenylethyl]propan-1-amine
CID 63026877
N-tert-butyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114413425
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine
CID 114413409

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine (CID 114413386) is N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine is CCCNCC(c1ccccc1)N1CC=C(COC)CC1.
What is the InChIKey of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine?
The InChIKey is RGKQREVIZRBRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-11-19-14-18(17-7-5-4-6-8-17)20-12-9-16(10-13-20)15-21-2/h4-9,18-19H,3,10-15H2,1-2H3.
What are the key properties of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine?
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 114413386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).