N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine

C11H16BrNO2 — CID 60657346

IUPACN-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1cccc(Br)c1)OC
InChIInChI=1S/C11H16BrNO2/c1-14-11(15-2)8-13-7-9-4-3-5-10(12)6-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyICTGLCPGHYVBPV-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.16
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine

N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine (PubChem CID 60657346) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine
PubChem CID60657346
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC NameN-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1cccc(Br)c1)OC
InChIInChI=1S/C11H16BrNO2/c1-14-11(15-2)8-13-7-9-4-3-5-10(12)6-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyICTGLCPGHYVBPV-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride
CID 133061504
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
N-[(3-bromophenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033220
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43180724
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
CID 65024410
N-[(4-bromo-2-chlorophenyl)methyl]-2,2-dimethoxyethanamine
CID 115651584
N'-(3-bromophenyl)-N-(2,2-dimethoxyethyl)propane-1,3-diamine
CID 174301576
N-[(3-bromophenyl)methyl]-2-(3-methoxypropoxy)ethanamine
CID 103178728
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine (CID 60657346) is N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine is COC(CNCc1cccc(Br)c1)OC.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine?
The InChIKey is ICTGLCPGHYVBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-14-11(15-2)8-13-7-9-4-3-5-10(12)6-9/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine?
N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 60657346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).