3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine

C14H22BrNO — CID 65015149

IUPAC3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCOCC(C)N(C)CC(CBr)c1ccccc1
InChIInChI=1S/C14H22BrNO/c1-12(11-17-3)16(2)10-14(9-15)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3
InChIKeyHIRJGTOHVHXVCS-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.13
Rot. Bonds7

About 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine

3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 65015149) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine
PubChem CID65015149
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCOCC(C)N(C)CC(CBr)c1ccccc1
InChIInChI=1S/C14H22BrNO/c1-12(11-17-3)16(2)10-14(9-15)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3
InChIKeyHIRJGTOHVHXVCS-UHFFFAOYSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
CID 81062061
2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190648
N-(3-bromo-2-phenylpropyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870804
3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine
CID 65015028
N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine
CID 55163332
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 114058272
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine
CID 65016198
[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene
CID 103415412
N-(3-bromo-2-phenylpropyl)-2-fluoro-N-methylaniline
CID 65015357
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
(1-chloro-3-methoxypropan-2-yl)benzene
CID 103985106

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine (CID 65015149) is 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine is COCC(C)N(C)CC(CBr)c1ccccc1.
What is the InChIKey of 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is HIRJGTOHVHXVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-12(11-17-3)16(2)10-14(9-15)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3.
What are the key properties of 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine?
3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 65015149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).