2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine

C15H26BrNSi — CID 114173520

IUPAC2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
SMILESCCNCC(Cc1ccc(Br)cc1)C[Si](C)(C)C
InChIInChI=1S/C15H26BrNSi/c1-5-17-11-14(12-18(2,3)4)10-13-6-8-15(16)9-7-13/h6-9,14,17H,5,10-12H2,1-4H3
InChIKeyBUQCCAIGVVHNTR-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.56
Rot. Bonds7

About 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine

2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine (PubChem CID 114173520) has the molecular formula C15H26BrNSi and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
PubChem CID114173520
Molecular FormulaC15H26BrNSi
Molecular Weight328.37 g/mol
Exact Mass327.10
IUPAC Name2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
SMILESCCNCC(Cc1ccc(Br)cc1)C[Si](C)(C)C
InChIInChI=1S/C15H26BrNSi/c1-5-17-11-14(12-18(2,3)4)10-13-6-8-15(16)9-7-13/h6-9,14,17H,5,10-12H2,1-4H3
InChIKeyBUQCCAIGVVHNTR-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323210
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
CID 63522612
2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62516264
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
2-[(4-bromophenyl)methyl]-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052967
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
2-benzyl-N-(2-methylpropyl)-3-trimethylsilylpropan-1-amine
CID 106323109
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516078
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323200

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine (CID 114173520) is 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine is CCNCC(Cc1ccc(Br)cc1)C[Si](C)(C)C.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine?
The InChIKey is BUQCCAIGVVHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNSi/c1-5-17-11-14(12-18(2,3)4)10-13-6-8-15(16)9-7-13/h6-9,14,17H,5,10-12H2,1-4H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine?
2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine has a molecular weight of 328.37 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine is sourced from PubChem (CID 114173520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).