N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine

C14H20BrNO2 — CID 57061420

IUPACN-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine
SMILESCOCCCC=C(NOCCBr)c1ccccc1
InChIInChI=1S/C14H20BrNO2/c1-17-11-6-5-9-14(16-18-12-10-15)13-7-3-2-4-8-13/h2-4,7-9,16H,5-6,10-12H2,1H3
InChIKeyBNGKQNBSEJGHMP-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.37
Rot. Bonds9

About N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine

N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine (PubChem CID 57061420) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine.

Molecular Properties

Compound NameN-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine
PubChem CID57061420
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine
SMILESCOCCCC=C(NOCCBr)c1ccccc1
InChIInChI=1S/C14H20BrNO2/c1-17-11-6-5-9-14(16-18-12-10-15)13-7-3-2-4-8-13/h2-4,7-9,16H,5-6,10-12H2,1H3
InChIKeyBNGKQNBSEJGHMP-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Phenyloxazine
CID 53643691
N-(2-bromoethoxy)-1,2-bis(2-fluorophenyl)ethenamine
CID 57042642
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
N-(2-bromoethoxy)-1,2-bis(4-fluorophenyl)ethenamine
CID 57110229
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923
1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
CID 57284314
1-(4-fluorophenyl)-N-methoxyethenamine
CID 90882872
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629
2-bromo-N-ethoxy-1-[4-(trifluoromethyl)phenyl]ethenamine
CID 91346357
2-bromo-1-(4-fluorophenyl)-N-methoxyethenamine
CID 91449813
(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
CID 123228856
3-Phenyl-2,5-dihydro-1,2-oxazole
CID 14642163

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine?
The IUPAC name of N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine (CID 57061420) is N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine.
What is the SMILES notation for N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine?
The canonical SMILES for N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine is COCCCC=C(NOCCBr)c1ccccc1.
What is the InChIKey of N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine?
The InChIKey is BNGKQNBSEJGHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-11-6-5-9-14(16-18-12-10-15)13-7-3-2-4-8-13/h2-4,7-9,16H,5-6,10-12H2,1H3.
What are the key properties of N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine?
N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethoxy)-5-methoxy-1-phenylpent-1-en-1-amine is sourced from PubChem (CID 57061420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).