N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine

C16H25BrN2O3 — CID 91063356

IUPACN-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine
SMILESCOCCOCCCC=C(NOCCN)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O3/c1-20-12-13-21-10-3-2-4-16(19-22-11-9-18)14-5-7-15(17)8-6-14/h4-8,19H,2-3,9-13,18H2,1H3
InChIKeyMTMCVOKGLYUZSV-UHFFFAOYSA-N
MW373.29 g/mol
LogP2.71
Rot. Bonds12

About N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine

N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine (PubChem CID 91063356) has the molecular formula C16H25BrN2O3 and a molecular weight of 373.29 g/mol. Its IUPAC name is N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine.

Molecular Properties

Compound NameN-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine
PubChem CID91063356
Molecular FormulaC16H25BrN2O3
Molecular Weight373.29 g/mol
Exact Mass372.10
IUPAC NameN-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine
SMILESCOCCOCCCC=C(NOCCN)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O3/c1-20-12-13-21-10-3-2-4-16(19-22-11-9-18)14-5-7-15(17)8-6-14/h4-8,19H,2-3,9-13,18H2,1H3
InChIKeyMTMCVOKGLYUZSV-UHFFFAOYSA-N
XLogP2.71
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(S)-N-(1-(4-bromophenyl)ethyl)-O-ethylhydroxylamine
CID 163358813
1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82711632
1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82715659
1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine
CID 82963124
6-(2-Aminoethoxyamino)-6-(4-bromophenyl)hex-5-enenitrile
CID 56990404
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 57286034
2-(Dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
CID 57315121
1-(4-bromophenyl)-N-(2-methylpropoxy)methanamine
CID 82710849
N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine
CID 90749378
N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine
CID 90854441
3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
CID 91530660
1-(4-bromophenyl)-N-ethoxymethanamine
CID 60702671

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine?
The IUPAC name of N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine (CID 91063356) is N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine.
What is the SMILES notation for N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine?
The canonical SMILES for N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine is COCCOCCCC=C(NOCCN)c1ccc(Br)cc1.
What is the InChIKey of N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine?
The InChIKey is MTMCVOKGLYUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O3/c1-20-12-13-21-10-3-2-4-16(19-22-11-9-18)14-5-7-15(17)8-6-14/h4-8,19H,2-3,9-13,18H2,1H3.
What are the key properties of N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine?
N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine has a molecular weight of 373.29 g/mol, XLogP of 2.71, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine is sourced from PubChem (CID 91063356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).