N-[2-(4-bromophenoxy)ethyl]-N-methylformamide

C10H12BrNO2 — CID 64992570

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methylformamide
SMILESCN(C=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-12(8-13)6-7-14-10-4-2-9(11)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyWTDICCZWRIFICY-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-N-methylformamide

N-[2-(4-bromophenoxy)ethyl]-N-methylformamide (PubChem CID 64992570) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methylformamide
PubChem CID64992570
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methylformamide
SMILESCN(C=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-12(8-13)6-7-14-10-4-2-9(11)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyWTDICCZWRIFICY-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-phenoxyethyl)formamide
CID 64992361
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
CID 63386918
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide
CID 57485486
2-(4-bromophenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 51110679
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115637871
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62593126
2-(4-bromophenoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 60646418

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylformamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylformamide (CID 64992570) is N-[2-(4-bromophenoxy)ethyl]-N-methylformamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methylformamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methylformamide is CN(C=O)CCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methylformamide?
The InChIKey is WTDICCZWRIFICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-12(8-13)6-7-14-10-4-2-9(11)3-5-10/h2-5,8H,6-7H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methylformamide?
N-[2-(4-bromophenoxy)ethyl]-N-methylformamide has a molecular weight of 258.12 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methylformamide is sourced from PubChem (CID 64992570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).