N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine

C13H20BrNO — CID 114940760

IUPACN-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-4-16-13(2,3)10-15-9-11-6-5-7-12(14)8-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyFRMUWYYWVJGQDZ-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.35
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine

N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine (PubChem CID 114940760) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
PubChem CID114940760
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-4-16-13(2,3)10-15-9-11-6-5-7-12(14)8-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyFRMUWYYWVJGQDZ-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941490
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
3-[[(2-ethoxy-2-methylpropyl)amino]methyl]benzonitrile
CID 114941202
N-[(3-bromophenyl)methyl]-3-chloro-2,2-dimethylpropan-1-amine
CID 115363415
N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 103581873
2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine
CID 82832000
N-[(3-bromophenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033220
3-[(3-bromophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582736
2-[[(3-bromophenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129319
2-ethoxy-2-methyl-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 114941062
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759063

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine (CID 114940760) is N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is FRMUWYYWVJGQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-16-13(2,3)10-15-9-11-6-5-7-12(14)8-11/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114940760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).