2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine

C16H28BrNSi — CID 106323271

IUPAC2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
SMILESCC(C)NCC(Cc1cccc(Br)c1)C[Si](C)(C)C
InChIInChI=1S/C16H28BrNSi/c1-13(2)18-11-15(12-19(3,4)5)9-14-7-6-8-16(17)10-14/h6-8,10,13,15,18H,9,11-12H2,1-5H3
InChIKeyJETFZCLYGYINTA-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.94
Rot. Bonds7

About 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine

2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine (PubChem CID 106323271) has the molecular formula C16H28BrNSi and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
PubChem CID106323271
Molecular FormulaC16H28BrNSi
Molecular Weight342.40 g/mol
Exact Mass341.12
IUPAC Name2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
SMILESCC(C)NCC(Cc1cccc(Br)c1)C[Si](C)(C)C
InChIInChI=1S/C16H28BrNSi/c1-13(2)18-11-15(12-19(3,4)5)9-14-7-6-8-16(17)10-14/h6-8,10,13,15,18H,9,11-12H2,1-5H3
InChIKeyJETFZCLYGYINTA-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.94
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-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522112
2-[(3-bromophenyl)methyl]-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617660
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63521934
2-[(3-bromophenyl)methyl]-3-(5-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63522640
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine (CID 106323271) is 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine is CC(C)NCC(Cc1cccc(Br)c1)C[Si](C)(C)C.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine?
The InChIKey is JETFZCLYGYINTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNSi/c1-13(2)18-11-15(12-19(3,4)5)9-14-7-6-8-16(17)10-14/h6-8,10,13,15,18H,9,11-12H2,1-5H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine?
2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine has a molecular weight of 342.40 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine is sourced from PubChem (CID 106323271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).