2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine

C15H26BrNSi — CID 106323813

IUPAC2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
SMILESCCCNCC(C[Si](C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H26BrNSi/c1-5-9-17-11-14(12-18(2,3)4)13-7-6-8-15(16)10-13/h6-8,10,14,17H,5,9,11-12H2,1-4H3
InChIKeyZENOJJVAWUWYKE-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.87
Rot. Bonds7

About 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine

2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine (PubChem CID 106323813) has the molecular formula C15H26BrNSi and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
PubChem CID106323813
Molecular FormulaC15H26BrNSi
Molecular Weight328.37 g/mol
Exact Mass327.10
IUPAC Name2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
SMILESCCCNCC(C[Si](C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H26BrNSi/c1-5-9-17-11-14(12-18(2,3)4)13-7-6-8-15(16)10-13/h6-8,10,14,17H,5,9,11-12H2,1-4H3
InChIKeyZENOJJVAWUWYKE-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 79443194
N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine
CID 106323819
[2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane
CID 106324242
2-(3-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79430248
2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79430229
N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine
CID 104819486
N-[2-(3-bromophenyl)-2-butan-2-yloxyethyl]propan-1-amine
CID 55036561
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82929807
N-[2-(3-bromophenyl)-2-hexoxyethyl]propan-1-amine
CID 63475192

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine (CID 106323813) is 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine is CCCNCC(C[Si](C)(C)C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine?
The InChIKey is ZENOJJVAWUWYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNSi/c1-5-9-17-11-14(12-18(2,3)4)13-7-6-8-15(16)10-13/h6-8,10,14,17H,5,9,11-12H2,1-4H3.
What are the key properties of 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine?
2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine has a molecular weight of 328.37 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine is sourced from PubChem (CID 106323813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).