3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine

C13H21ClFNOSi — CID 14089784

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine
SMILESC[Si](C)(C)OC(CCl)CNCc1ccc(F)cc1
InChIInChI=1S/C13H21ClFNOSi/c1-18(2,3)17-13(8-14)10-16-9-11-4-6-12(15)7-5-11/h4-7,13,16H,8-10H2,1-3H3
InChIKeyUCMUXSBZIFJXSB-UHFFFAOYSA-N
MW289.85 g/mol
LogP3.37
Rot. Bonds7

About 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine

3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine (PubChem CID 14089784) has the molecular formula C13H21ClFNOSi and a molecular weight of 289.85 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine
PubChem CID14089784
Molecular FormulaC13H21ClFNOSi
Molecular Weight289.85 g/mol
Exact Mass289.11
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine
SMILESC[Si](C)(C)OC(CCl)CNCc1ccc(F)cc1
InChIInChI=1S/C13H21ClFNOSi/c1-18(2,3)17-13(8-14)10-16-9-11-4-6-12(15)7-5-11/h4-7,13,16H,8-10H2,1-3H3
InChIKeyUCMUXSBZIFJXSB-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024159
1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205416
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115254964
1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
CID 106180782
4-[(4-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 115219892
1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine
CID 83960594
3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025358
N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 14599999
5-[(4-fluorophenyl)methylamino]pentan-2-ol
CID 107267828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine (CID 14089784) is 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine is C[Si](C)(C)OC(CCl)CNCc1ccc(F)cc1.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine?
The InChIKey is UCMUXSBZIFJXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClFNOSi/c1-18(2,3)17-13(8-14)10-16-9-11-4-6-12(15)7-5-11/h4-7,13,16H,8-10H2,1-3H3.
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine?
3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine has a molecular weight of 289.85 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine is sourced from PubChem (CID 14089784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).