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

C14H21BrN2O2 — CID 90749378

IUPACN-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine
SMILESCOCCCC=C(NOCCN)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h4-8,17H,2-3,9-11,16H2,1H3
InChIKeyPYJKUPMFJNYOHY-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.70
Rot. Bonds9

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

N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine (PubChem CID 90749378) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine.

Molecular Properties

Compound NameN-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine
PubChem CID90749378
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine
SMILESCOCCCC=C(NOCCN)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h4-8,17H,2-3,9-11,16H2,1H3
InChIKeyPYJKUPMFJNYOHY-UHFFFAOYSA-N
XLogP2.70
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(3-Bromophenyl)ethyl](ethoxy)amine
CID 81329187
1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
CID 57308211
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91287687
3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
CID 91483603
(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
CID 123228856
(S)-N-(1-(4-bromophenyl)ethyl)-O-ethylhydroxylamine
CID 163358813
1-(4-bromo-2-fluorophenyl)-N-ethoxymethanamine
CID 60702464
1-(4-bromo-3-fluorophenyl)-N-ethoxymethanamine
CID 79671436
1-(4-bromo-3-fluorophenyl)-N-(2-methylpropoxy)methanamine
CID 82710451
1-(4-bromo-2-fluorophenyl)-N-(2-methylpropoxy)methanamine
CID 82710968
1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82711632
1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82711921

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine?
The IUPAC name of N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine (CID 90749378) is N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine.
What is the SMILES notation for N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine?
The canonical SMILES for N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine is COCCCC=C(NOCCN)c1ccc(Br)cc1.
What is the InChIKey of N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine?
The InChIKey is PYJKUPMFJNYOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h4-8,17H,2-3,9-11,16H2,1H3.
What are the key properties of N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine?
N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine has a molecular weight of 329.24 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine is sourced from PubChem (CID 90749378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).