N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine

C14H21BrN2O2 — CID 90854441

IUPACN-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine
SMILESCOCC(Br)CC=C(NOCCN)c1ccccc1
InChIInChI=1S/C14H21BrN2O2/c1-18-11-13(15)7-8-14(17-19-10-9-16)12-5-3-2-4-6-12/h2-6,8,13,17H,7,9-11,16H2,1H3
InChIKeyWWSXZSRIVOXYDC-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.31
Rot. Bonds9

About N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine

N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine (PubChem CID 90854441) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine.

Molecular Properties

Compound NameN-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine
PubChem CID90854441
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine
SMILESCOCC(Br)CC=C(NOCCN)c1ccccc1
InChIInChI=1S/C14H21BrN2O2/c1-18-11-13(15)7-8-14(17-19-10-9-16)12-5-3-2-4-6-12/h2-6,8,13,17H,7,9-11,16H2,1H3
InChIKeyWWSXZSRIVOXYDC-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
CID 54359408
(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
CID 123228856
(Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
CID 123290554
fluvoxamine CR
CID 172873924
N-(2-bromoethoxy)-3-methyl-1-phenylbut-1-en-1-amine
CID 56974081
6-(2-Aminoethoxyamino)-6-(4-bromophenyl)hex-5-enenitrile
CID 56990404
N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine
CID 57061420
N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine
CID 57064976
N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine
CID 57163135
(1R)-N-butoxy-1-phenylbutane-1,4-diamine
CID 89100841
N-(2-aminoethoxy)-1-(4-bromophenyl)-5-methoxypent-1-en-1-amine
CID 90749378
N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine
CID 91063356

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine?
The IUPAC name of N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine (CID 90854441) is N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine.
What is the SMILES notation for N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine?
The canonical SMILES for N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine is COCC(Br)CC=C(NOCCN)c1ccccc1.
What is the InChIKey of N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine?
The InChIKey is WWSXZSRIVOXYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-18-11-13(15)7-8-14(17-19-10-9-16)12-5-3-2-4-6-12/h2-6,8,13,17H,7,9-11,16H2,1H3.
What are the key properties of N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine?
N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine has a molecular weight of 329.24 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)-4-bromo-5-methoxy-1-phenylpent-1-en-1-amine is sourced from PubChem (CID 90854441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).