N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine

C12H18BrNO — CID 78914332

IUPACN-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-15-9-8-14(2)10-11-6-4-5-7-12(11)13/h4-7H,3,8-10H2,1-2H3
InChIKeyPNNHZJWXZLIDGI-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.92
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine

N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine (PubChem CID 78914332) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
PubChem CID78914332
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC NameN-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-15-9-8-14(2)10-11-6-4-5-7-12(11)13/h4-7H,3,8-10H2,1-2H3
InChIKeyPNNHZJWXZLIDGI-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
1-(2-bromophenyl)-2-[2-ethoxyethyl(methyl)amino]ethanone
CID 81057820
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
3-[[2-ethoxyethyl(methyl)amino]methyl]pyridin-2-amine
CID 81074924
1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one
CID 143630624
4-[(2-bromophenyl)methyl-methylamino]-2-ethoxybutanoic acid
CID 55148053
2-(2-bromophenyl)ethyl-(2-ethoxyethyl)carbamic acid
CID 68730463

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine (CID 78914332) is N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine is CCOCCN(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine?
The InChIKey is PNNHZJWXZLIDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-15-9-8-14(2)10-11-6-4-5-7-12(11)13/h4-7H,3,8-10H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine?
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine has a molecular weight of 272.19 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 78914332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).