1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine

C17H25BrN2O — CID 114410466

IUPAC1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CC=C(COC)CC1
InChIInChI=1S/C17H25BrN2O/c1-4-19-13(2)16-11-15(18)5-6-17(16)20-9-7-14(8-10-20)12-21-3/h5-7,11,13,19H,4,8-10,12H2,1-3H3
InChIKeyOVANYPMEOJFBSA-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.90
Rot. Bonds6

About 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine

1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine (PubChem CID 114410466) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine
PubChem CID114410466
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CC=C(COC)CC1
InChIInChI=1S/C17H25BrN2O/c1-4-19-13(2)16-11-15(18)5-6-17(16)20-9-7-14(8-10-20)12-21-3/h5-7,11,13,19H,4,8-10,12H2,1-3H3
InChIKeyOVANYPMEOJFBSA-UHFFFAOYSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-methylethanamine
CID 114410467
5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzonitrile
CID 114383024
2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol
CID 114410444
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 103534496
1-[5-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 82971422
1-[4-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956165
1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 102958978
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]-N-ethylethanamine
CID 82968313
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958887
1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine
CID 82953888

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine (CID 114410466) is 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1N1CC=C(COC)CC1.
What is the InChIKey of 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine?
The InChIKey is OVANYPMEOJFBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-4-19-13(2)16-11-15(18)5-6-17(16)20-9-7-14(8-10-20)12-21-3/h5-7,11,13,19H,4,8-10,12H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine?
1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine has a molecular weight of 353.30 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine is sourced from PubChem (CID 114410466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).